################################################################################
#                                                                              #
#------------------------------------------------------------------------------#
#                                                                              #
#         CIF file created and formatted by CRYSCALC (ver. April 2019)         #
#                                                                              #
#------------------------------------------------------------------------------#
#                                                                              #
# Date of archive creation: 29-04-2019 at 18:38:34                             #
#                                                                              #
# Input CIF files:                                                             #
#  1. job.cif                                                                  #
#  2. import.cif                                                               #
#                                                                              #
#------------------------------------------------------------------------------#
#                                                                              #
# Date of experiment: 29 avril 2019                                            #
# Experimenter      : Thierry Roisnel                                          #
#                                                                              #
# Instrument        : D8 VENTURE Bruker AXS                                    #
# Laboratory        : CDIFX/ISCR (UMR6226 Rennes)                              #
# CDIFX ID          : 19-16-318                                                #
# Sample ID         : amel15                                                   #
# Proposer          : JF. Soule [OMC/ISCR]                                     #
#                                                                              #
#------------------------------------------------------------------------------#
#                                                                              #
# Please use the following crystallographer details for CIF file deposition    #
# at CCDC or FIZ Karsruhe :                                                    #
#                                                                              #
# Crystallographer name : Thierry ROISNEL                                      #
# Publishing name :       Thierry ROISNEL                                      #
# Email adress :          thierry.roisnel@univ-rennes1.fr                      #
# Affiliation :           CDIFX ISCR CNRS Univ Rennes                          #
# Country :               France                                               #
# ORCID ID :              0000-0002-6088-4472                                  #
#                                                                              #
# Please use the following address for further publication:                    #
#                                                                              #
# Thierry Roisnel                                                              #
# Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) UMR 6226 #
# F-35000 Rennes, France                                                       #
#                                                                              #
################################################################################


data_amel15

#------------------------------------------------------------------------------#
# Date of experiment: 29 avril 2019                                            #
#------------------------------------------------------------------------------#


#------------------------------------------------------------------------------#
#                             CHEMICAL INFORMATION                             #
#------------------------------------------------------------------------------#


_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety              'C31 H23 N3'
_chemical_formula_sum                 'C31 H23 N3'
_chemical_formula_weight               437.52
_chemical_compound_source             'synthesis as described'
_chemical_absolute_configuration      'unk'

#------------------------------------------------------------------------------#
#                            UNIT CELL INFORMATION                             #
#------------------------------------------------------------------------------#


_space_group_crystal_system              orthorhombic
_space_group_name_H-M_alt                'P 21 21 21'
_space_group_name_Hall                   'P 2ac 2ab'
_space_group_IT_number                    19
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'

_cell_length_a                         6.4889(4)
_cell_length_b                         7.9019(6)
_cell_length_c                         43.923(3)
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      90
_cell_volume                           2252.1(3)
_cell_formula_units_Z                 4
_cell_measurement_temperature         150
_cell_measurement_reflns_used          7167
_cell_measurement_theta_min            2.3151
_cell_measurement_theta_max            27.4166
_cell_measurement_wavelength        0.71073

#------------------------------------------------------------------------------#
#                             CRYSTAL INFORMATION                              #
#------------------------------------------------------------------------------#

_exptl_crystal_description             plate
_exptl_crystal_colour                  colourless
_exptl_crystal_size_max                 0.500
_exptl_crystal_size_mid                 0.400
_exptl_crystal_size_min                 0.045
_exptl_crystal_density_meas           ?
_exptl_crystal_density_diffrn         1.290
_exptl_crystal_density_method         ?
_exptl_crystal_F_000                  920
_exptl_special_details
;
 ?
;

#------------------------------------------------------------------------------#
#                            ABSORPTION CORRECTION                             #
#------------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu                         0.076
_exptl_absorpt_correction_type                       multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min                         0.704
_exptl_absorpt_correction_T_max                         0.997

#------------------------------------------------------------------------------#
#                               DATA COLLECTION                                #
#------------------------------------------------------------------------------#

_diffrn_measurement_device_type         'D8 VENTURE Bruker AXS'
_diffrn_measurement_method              'rotation images'
_diffrn_detector                        '(CMOS) PHOTON 100'
_diffrn_detector_area_resol_mean        10.4167
_diffrn_ambient_temperature             150
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_probe                 x-ray
_diffrn_radiation_source                'Incoatec microfocus sealed tube'
_diffrn_radiation_monochromator         'multilayer monochromator'
_diffrn_source_current                  1.0
_diffrn_source_voltage                  50.0
_diffrn_reflns_av_r_equivalents         0.0519
_diffrn_reflns_av_uneti/neti            0.0870
_diffrn_reflns_number                   7878
_diffrn_reflns_limit_h_min              -8
_diffrn_reflns_limit_h_max              6
_diffrn_reflns_limit_k_min              -10
_diffrn_reflns_limit_k_max              6
_diffrn_reflns_limit_l_min              -57
_diffrn_reflns_limit_l_max              33
_diffrn_reflns_theta_min                2.619
_diffrn_reflns_theta_max                27.465
_diffrn_reflns_theta_full               25.242
_diffrn_measured_fraction_theta_full    0.989
_diffrn_measured_fraction_theta_max     0.974
_reflns_number_total                    4641
_reflns_number_gt                       4001
_reflns_threshold_expression            >2sigma(I)
_reflns_Friedel_coverage                0.577
_reflns_Friedel_fraction_max            0.791
_reflns_Friedel_fraction_full           0.846

_reflns_special_details
;
Reflections were merged by SHELXL according to the crystal
class for the calculation of statistics and refinement.

_reflns_Friedel_fraction is defined as the number of unique
Friedel pairs measured divided by the number that would be
possible theoretically, ignoring centric projections and
systematic absences.
;

#------------------------------------------------------------------------------#
#                            COMPUTER PROGRAMS USED                            #
#------------------------------------------------------------------------------#

_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_molecular_graphics    'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2019)'

#------------------------------------------------------------------------------#
#                            REFINEMENT INFORMATION                            #
#------------------------------------------------------------------------------#

_refine_special_details
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
        'w=1/[σ²(Fo²)+(0.0426P)²+7.4581P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary            dual
_atom_sites_solution_secondary          difmap
_atom_sites_solution_hydrogens          geom
_refine_ls_hydrogen_treatment           constr
_refine_ls_extinction_method            none
_refine_ls_extinction_coef              .
_refine_ls_number_reflns                4641
_refine_ls_number_parameters            307
_refine_ls_number_restraints            0
_refine_ls_R_factor_all                 0.0878
_refine_ls_R_factor_gt                  0.0752
_refine_ls_wR_factor_ref                0.2100
_refine_ls_wR_factor_gt                 0.2019
_refine_ls_goodness_of_fit_ref          1.058
_refine_ls_restrained_S_all             1.058
_refine_ls_shift/su_max                 0.022
_refine_ls_shift/su_mean                0.004
_refine_diff_density_max                0.369
_refine_diff_density_min                -0.360
_refine_diff_density_rms                0.086

#------------------------------------------------------------------------------#
#               ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS               #
#------------------------------------------------------------------------------#

loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
C   C    0.0033  0.0016  'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H   H    0.0000  0.0000  'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N   N    0.0061  0.0033  'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_occupancy
    _atom_site_site_symmetry_order
    _atom_site_calc_flag
    _atom_site_refinement_flags_posn
    _atom_site_refinement_flags_adp
    _atom_site_refinement_flags_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
C1   C   0.2949(8)    0.8473(6)    0.61968(11)  0.0144(10)  Uani 1 1 d    .     . . . .
H1   H   0.179506     0.911564     0.629375     0.017       Uiso 1 1 calc R     U . . .
C2   C   0.2620(8)    0.6620(6)    0.62711(10)  0.0148(10)  Uani 1 1 d    .     . . . .
C3   C   0.4194(9)    0.5445(7)    0.62592(11)  0.0175(11)  Uani 1 1 d    .     . . . .
H3   H   0.554354     0.579533     0.620374     0.021       Uiso 1 1 calc R     U . . .
C4   C   0.3827(10)   0.3767(7)    0.63271(12)  0.0224(12)  Uani 1 1 d    .     . . . .
H4   H   0.492076     0.296985     0.631876     0.027       Uiso 1 1 calc R     U . . .
C5   C   0.1870(10)   0.3248(7)    0.64071(11)  0.0226(12)  Uani 1 1 d    .     . . . .
H5   H   0.161631     0.209302     0.645429     0.027       Uiso 1 1 calc R     U . . .
C6   C   0.0277(9)    0.4411(7)    0.64184(11)  0.0209(12)  Uani 1 1 d    .     . . . .
H6   H  -0.107312     0.405029     0.647107     0.025       Uiso 1 1 calc R     U . . .
C7   C   0.0646(8)    0.6094(7)    0.63534(11)  0.0164(11)  Uani 1 1 d    .     . . . .
H7   H  -0.044484     0.689311     0.636487     0.020       Uiso 1 1 calc R     U . . .
C8   C   0.2881(8)    0.8862(7)    0.58544(11)  0.0157(10)  Uani 1 1 d    .     . . . .
C9   C   0.3994(9)    0.7914(7)    0.56424(12)  0.0214(12)  Uani 1 1 d    .     . . . .
H9   H   0.479527     0.697669     0.570837     0.026       Uiso 1 1 calc R     U . . .
C10  C   0.3933(9)    0.8337(8)    0.53342(11)  0.0231(12)  Uani 1 1 d    .     . . . .
H10  H   0.470989     0.768662     0.519300     0.028       Uiso 1 1 calc R     U . . .
C11  C   0.2763(9)    0.9686(7)    0.52296(11)  0.0176(11)  Uani 1 1 d    .     . . . .
C12  C   0.1594(8)    1.0580(7)    0.54426(11)  0.0186(11)  Uani 1 1 d    .     . . . .
H12  H   0.073666     1.148368     0.537691     0.022       Uiso 1 1 calc R     U . . .
C13  C   0.1673(8)    1.0160(7)    0.57507(11)  0.0180(11)  Uani 1 1 d    .     . . . .
H13  H   0.087023     1.078906     0.589181     0.022       Uiso 1 1 calc R     U . . .
C14  C   0.2753(8)    1.0197(7)    0.49009(11)  0.0174(11)  Uani 1 1 d    .     . . . .
C15  C   0.4432(9)    0.9795(8)    0.47118(12)  0.0237(12)  Uani 1 1 d    .     . . . .
H15  H   0.555858     0.917013     0.479202     0.028       Uiso 1 1 calc R     U . . .
C16  C   0.4462(10)   1.0301(8)    0.44091(12)  0.0258(13)  Uani 1 1 d    .     . . . .
H16  H   0.559873     1.000766     0.428347     0.031       Uiso 1 1 calc R     U . . .
C17  C   0.2851(10)   1.1228(7)    0.42893(12)  0.0238(13)  Uani 1 1 d    .     . . . .
H17  H   0.288873     1.158653     0.408295     0.029       Uiso 1 1 calc R     U . . .
C18  C   0.1183(10)   1.1633(8)    0.44707(12)  0.0280(13)  Uani 1 1 d    .     . . . .
H18  H   0.007083     1.227059     0.438917     0.034       Uiso 1 1 calc R     U . . .
C19  C   0.1132(9)    1.1104(8)    0.47748(12)  0.0240(13)  Uani 1 1 d    .     . . . .
H19  H  -0.003141     1.136995     0.489699     0.029       Uiso 1 1 calc R     U . . .
N20  N   0.4892(7)    0.9100(5)    0.63339(9)   0.0151(9)   Uani 1 1 d    .     . . . .
C21  C   0.6534(8)    0.9831(6)    0.61935(12)  0.0180(11)  Uani 1 1 d    .     . . . .
H21  H   0.662463     0.998607     0.597942     0.022       Uiso 1 1 calc R     U . . .
N22  N   0.7986(7)    1.0301(6)    0.63853(10)  0.0213(10)  Uani 1 1 d    .     . . . .
C23  C   0.7228(8)    0.9837(7)    0.66692(12)  0.0207(11)  Uani 1 1 d    .     . . . .
H23  H   0.793224     1.002325     0.685584     0.025       Uiso 1 1 calc R     U . . .
C24  C   0.5366(8)    0.9090(7)    0.66460(11)  0.0152(10)  Uani 1 1 d    .     . . . .
C25  C   0.3965(8)    0.8316(7)    0.68770(10)  0.0160(10)  Uani 1 1 d    .     . . . .
C26  C   0.2248(8)    0.9161(7)    0.69714(12)  0.0203(11)  Uani 1 1 d    .     . . . .
H26  H   0.202348     1.027134     0.689557     0.024       Uiso 1 1 calc R     U . . .
N27  N   0.0822(8)    0.8500(7)    0.71699(10)  0.0274(12)  Uani 1 1 d    .     . . . .
C28  C   0.1139(9)    0.6959(9)    0.72650(12)  0.0254(13)  Uani 1 1 d    .     . . . .
H28  H   0.012377     0.646958     0.739352     0.030       Uiso 1 1 calc R     U . . .
C29  C   0.2863(9)    0.5966(8)    0.71924(11)  0.0211(12)  Uani 1 1 d    .     . . . .
C30  C   0.3144(10)   0.4304(8)    0.73078(13)  0.0293(14)  Uani 1 1 d    .     . . . .
H30  H   0.210948     0.380542     0.743181     0.035       Uiso 1 1 calc R     U . . .
C31  C   0.4886(11)   0.3425(8)    0.72416(12)  0.0303(14)  Uani 1 1 d    .     . . . .
H31  H   0.505843     0.230640     0.731668     0.036       Uiso 1 1 calc R     U . . .
C32  C   0.6435(10)   0.4169(8)    0.70618(13)  0.0269(13)  Uani 1 1 d    .     . . . .
H32  H   0.766795     0.355846     0.702248     0.032       Uiso 1 1 calc R     U . . .
C33  C   0.6198(9)    0.5753(8)    0.69430(12)  0.0230(12)  Uani 1 1 d    .     . . . .
H33  H   0.726242     0.622943     0.682189     0.028       Uiso 1 1 calc R     U . . .
C34  C   0.4392(8)    0.6684(7)    0.69984(10)  0.0180(11)  Uani 1 1 d    .     . . . .



#------------------------------------------------------------------------------#
#                              MOLECULAR GEOMETRY                              #
#------------------------------------------------------------------------------#

_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_distance
    _geom_bond_site_symmetry_2
    _geom_bond_publ_flag
C1   N20  1.482(7)    .           ?
C1   C2   1.515(7)    .           ?
C1   C8   1.536(6)    .           ?
C1   H1   1.0000      .           ?
C2   C3   1.382(8)    .           ?
C2   C7   1.394(7)    .           ?
C3   C4   1.379(8)    .           ?
C3   H3   0.9500      .           ?
C4   C5   1.380(9)    .           ?
C4   H4   0.9500      .           ?
C5   C6   1.384(8)    .           ?
C5   H5   0.9500      .           ?
C6   C7   1.381(8)    .           ?
C6   H6   0.9500      .           ?
C7   H7   0.9500      .           ?
C8   C13  1.369(8)    .           ?
C8   C9   1.396(7)    .           ?
C9   C10  1.395(7)    .           ?
C9   H9   0.9500      .           ?
C10  C11  1.388(8)    .           ?
C10  H10  0.9500      .           ?
C11  C12  1.396(7)    .           ?
C11  C14  1.499(7)    .           ?
C12  C13  1.394(7)    .           ?
C12  H12  0.9500      .           ?
C13  H13  0.9500      .           ?
C14  C19  1.388(8)    .           ?
C14  C15  1.406(7)    .           ?
C15  C16  1.388(7)    .           ?
C15  H15  0.9500      .           ?
C16  C17  1.381(9)    .           ?
C16  H16  0.9500      .           ?
C17  C18  1.381(9)    .           ?
C17  H17  0.9500      .           ?
C18  C19  1.400(7)    .           ?
C18  H18  0.9500      .           ?
C19  H19  0.9500      .           ?
N20  C21  1.360(7)    .           ?
N20  C24  1.405(6)    .           ?
C21  N22  1.317(7)    .           ?
C21  H21  0.9500      .           ?
N22  C23  1.389(7)    .           ?
C23  C24  1.349(8)    .           ?
C23  H23  0.9500      .           ?
C24  C25  1.493(7)    .           ?
C25  C26  1.363(8)    .           ?
C25  C34  1.423(8)    .           ?
C26  N27  1.374(7)    .           ?
C26  H26  0.9500      .           ?
N27  C28  1.304(8)    .           ?
C28  C29  1.403(9)    .           ?
C28  H28  0.9500      .           ?
C29  C30  1.419(9)    .           ?
C29  C34  1.425(7)    .           ?
C30  C31  1.359(10)   .           ?
C30  H30  0.9500      .           ?
C31  C32  1.407(9)    .           ?
C31  H31  0.9500      .           ?
C32  C33  1.364(8)    .           ?
C32  H32  0.9500      .           ?
C33  C34  1.405(8)    .           ?
C33  H33  0.9500      .           ?

loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle_publ_flag
N20  C1   C2   110.8(4)     .       .       ?
N20  C1   C8   110.8(4)     .       .       ?
C2   C1   C8   113.6(4)     .       .       ?
N20  C1   H1   107.1        .       .       ?
C2   C1   H1   107.1        .       .       ?
C8   C1   H1   107.1        .       .       ?
C3   C2   C7   119.2(5)     .       .       ?
C3   C2   C1   122.5(5)     .       .       ?
C7   C2   C1   118.3(5)     .       .       ?
C4   C3   C2   120.7(5)     .       .       ?
C4   C3   H3   119.7        .       .       ?
C2   C3   H3   119.7        .       .       ?
C3   C4   C5   120.0(5)     .       .       ?
C3   C4   H4   120.0        .       .       ?
C5   C4   H4   120.0        .       .       ?
C4   C5   C6   119.9(5)     .       .       ?
C4   C5   H5   120.0        .       .       ?
C6   C5   H5   120.0        .       .       ?
C7   C6   C5   120.2(5)     .       .       ?
C7   C6   H6   119.9        .       .       ?
C5   C6   H6   119.9        .       .       ?
C6   C7   C2   120.0(5)     .       .       ?
C6   C7   H7   120.0        .       .       ?
C2   C7   H7   120.0        .       .       ?
C13  C8   C9   118.4(5)     .       .       ?
C13  C8   C1   119.5(4)     .       .       ?
C9   C8   C1   122.1(5)     .       .       ?
C10  C9   C8   120.3(5)     .       .       ?
C10  C9   H9   119.9        .       .       ?
C8   C9   H9   119.9        .       .       ?
C11  C10  C9   121.4(5)     .       .       ?
C11  C10  H10  119.3        .       .       ?
C9   C10  H10  119.3        .       .       ?
C10  C11  C12  117.6(5)     .       .       ?
C10  C11  C14  121.9(5)     .       .       ?
C12  C11  C14  120.5(5)     .       .       ?
C13  C12  C11  120.7(5)     .       .       ?
C13  C12  H12  119.7        .       .       ?
C11  C12  H12  119.7        .       .       ?
C8   C13  C12  121.5(5)     .       .       ?
C8   C13  H13  119.3        .       .       ?
C12  C13  H13  119.3        .       .       ?
C19  C14  C15  117.9(5)     .       .       ?
C19  C14  C11  121.8(5)     .       .       ?
C15  C14  C11  120.3(5)     .       .       ?
C16  C15  C14  120.7(5)     .       .       ?
C16  C15  H15  119.6        .       .       ?
C14  C15  H15  119.6        .       .       ?
C17  C16  C15  120.5(5)     .       .       ?
C17  C16  H16  119.8        .       .       ?
C15  C16  H16  119.8        .       .       ?
C16  C17  C18  119.8(5)     .       .       ?
C16  C17  H17  120.1        .       .       ?
C18  C17  H17  120.1        .       .       ?
C17  C18  C19  120.0(6)     .       .       ?
C17  C18  H18  120.0        .       .       ?
C19  C18  H18  120.0        .       .       ?
C14  C19  C18  121.1(5)     .       .       ?
C14  C19  H19  119.4        .       .       ?
C18  C19  H19  119.4        .       .       ?
C21  N20  C24  105.9(4)     .       .       ?
C21  N20  C1   128.6(4)     .       .       ?
C24  N20  C1   125.5(4)     .       .       ?
N22  C21  N20  113.0(5)     .       .       ?
N22  C21  H21  123.5        .       .       ?
N20  C21  H21  123.5        .       .       ?
C21  N22  C23  104.3(4)     .       .       ?
C24  C23  N22  111.4(5)     .       .       ?
C24  C23  H23  124.3        .       .       ?
N22  C23  H23  124.3        .       .       ?
C23  C24  N20  105.5(4)     .       .       ?
C23  C24  C25  132.3(5)     .       .       ?
N20  C24  C25  122.2(4)     .       .       ?
C26  C25  C34  119.3(5)     .       .       ?
C26  C25  C24  120.3(5)     .       .       ?
C34  C25  C24  120.5(5)     .       .       ?
C25  C26  N27  123.8(5)     .       .       ?
C25  C26  H26  118.1        .       .       ?
N27  C26  H26  118.1        .       .       ?
C28  N27  C26  116.9(5)     .       .       ?
N27  C28  C29  125.1(5)     .       .       ?
N27  C28  H28  117.4        .       .       ?
C29  C28  H28  117.4        .       .       ?
C28  C29  C30  122.6(5)     .       .       ?
C28  C29  C34  117.9(5)     .       .       ?
C30  C29  C34  119.5(6)     .       .       ?
C31  C30  C29  120.2(6)     .       .       ?
C31  C30  H30  119.9        .       .       ?
C29  C30  H30  119.9        .       .       ?
C30  C31  C32  120.1(6)     .       .       ?
C30  C31  H31  120.0        .       .       ?
C32  C31  H31  120.0        .       .       ?
C33  C32  C31  121.1(6)     .       .       ?
C33  C32  H32  119.4        .       .       ?
C31  C32  H32  119.4        .       .       ?
C32  C33  C34  120.6(6)     .       .       ?
C32  C33  H33  119.7        .       .       ?
C34  C33  H33  119.7        .       .       ?
C33  C34  C25  124.9(5)     .       .       ?
C33  C34  C29  118.4(5)     .       .       ?
C25  C34  C29  116.7(5)     .       .       ?

loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion_publ_flag
N20  C1   C2   C3    -42.7(6)     .       .       .       .       ?
C8   C1   C2   C3     82.8(6)     .       .       .       .       ?
N20  C1   C2   C7    137.5(4)     .       .       .       .       ?
C8   C1   C2   C7    -97.0(5)     .       .       .       .       ?
C7   C2   C3   C4      0.2(7)     .       .       .       .       ?
C1   C2   C3   C4   -179.7(5)     .       .       .       .       ?
C2   C3   C4   C5      0.2(8)     .       .       .       .       ?
C3   C4   C5   C6      0.1(8)     .       .       .       .       ?
C4   C5   C6   C7     -0.8(8)     .       .       .       .       ?
C5   C6   C7   C2      1.1(7)     .       .       .       .       ?
C3   C2   C7   C6     -0.8(7)     .       .       .       .       ?
C1   C2   C7   C6    179.0(4)     .       .       .       .       ?
N20  C1   C8   C13  -104.0(6)     .       .       .       .       ?
C2   C1   C8   C13   130.5(5)     .       .       .       .       ?
N20  C1   C8   C9     77.0(6)     .       .       .       .       ?
C2   C1   C8   C9    -48.5(7)     .       .       .       .       ?
C13  C8   C9   C10     2.7(8)     .       .       .       .       ?
C1   C8   C9   C10  -178.3(5)     .       .       .       .       ?
C8   C9   C10  C11    -0.6(9)     .       .       .       .       ?
C9   C10  C11  C12    -1.9(9)     .       .       .       .       ?
C9   C10  C11  C14   177.4(5)     .       .       .       .       ?
C10  C11  C12  C13     2.4(8)     .       .       .       .       ?
C14  C11  C12  C13  -177.0(5)     .       .       .       .       ?
C9   C8   C13  C12    -2.2(8)     .       .       .       .       ?
C1   C8   C13  C12   178.7(5)     .       .       .       .       ?
C11  C12  C13  C8     -0.3(8)     .       .       .       .       ?
C10  C11  C14  C19   157.2(6)     .       .       .       .       ?
C12  C11  C14  C19   -23.5(8)     .       .       .       .       ?
C10  C11  C14  C15   -24.2(8)     .       .       .       .       ?
C12  C11  C14  C15   155.1(5)     .       .       .       .       ?
C19  C14  C15  C16     0.3(9)     .       .       .       .       ?
C11  C14  C15  C16  -178.3(5)     .       .       .       .       ?
C14  C15  C16  C17     0.8(9)     .       .       .       .       ?
C15  C16  C17  C18    -1.0(9)     .       .       .       .       ?
C16  C17  C18  C19     0.0(9)     .       .       .       .       ?
C15  C14  C19  C18    -1.3(9)     .       .       .       .       ?
C11  C14  C19  C18   177.3(6)     .       .       .       .       ?
C17  C18  C19  C14     1.1(10)    .       .       .       .       ?
C2   C1   N20  C21   122.9(5)     .       .       .       .       ?
C8   C1   N20  C21    -4.2(7)     .       .       .       .       ?
C2   C1   N20  C24   -59.0(6)     .       .       .       .       ?
C8   C1   N20  C24   173.9(4)     .       .       .       .       ?
C24  N20  C21  N22    -0.8(6)     .       .       .       .       ?
C1   N20  C21  N22   177.6(5)     .       .       .       .       ?
N20  C21  N22  C23     0.1(6)     .       .       .       .       ?
C21  N22  C23  C24     0.6(6)     .       .       .       .       ?
N22  C23  C24  N20    -1.0(6)     .       .       .       .       ?
N22  C23  C24  C25   177.2(5)     .       .       .       .       ?
C21  N20  C24  C23     1.0(6)     .       .       .       .       ?
C1   N20  C24  C23  -177.4(5)     .       .       .       .       ?
C21  N20  C24  C25  -177.4(5)     .       .       .       .       ?
C1   N20  C24  C25     4.2(8)     .       .       .       .       ?
C23  C24  C25  C26   104.1(7)     .       .       .       .       ?
N20  C24  C25  C26   -77.9(7)     .       .       .       .       ?
C23  C24  C25  C34   -76.6(8)     .       .       .       .       ?
N20  C24  C25  C34   101.4(6)     .       .       .       .       ?
C34  C25  C26  N27    -3.0(8)     .       .       .       .       ?
C24  C25  C26  N27   176.2(5)     .       .       .       .       ?
C25  C26  N27  C28    -1.6(8)     .       .       .       .       ?
C26  N27  C28  C29     3.3(9)     .       .       .       .       ?
N27  C28  C29  C30   178.7(6)     .       .       .       .       ?
N27  C28  C29  C34    -0.3(9)     .       .       .       .       ?
C28  C29  C30  C31  -177.0(6)     .       .       .       .       ?
C34  C29  C30  C31     2.0(8)     .       .       .       .       ?
C29  C30  C31  C32     1.0(9)     .       .       .       .       ?
C30  C31  C32  C33    -2.1(9)     .       .       .       .       ?
C31  C32  C33  C34     0.2(9)     .       .       .       .       ?
C32  C33  C34  C25  -177.8(5)     .       .       .       .       ?
C32  C33  C34  C29     2.8(8)     .       .       .       .       ?
C26  C25  C34  C33  -173.6(5)     .       .       .       .       ?
C24  C25  C34  C33     7.1(8)     .       .       .       .       ?
C26  C25  C34  C29     5.8(7)     .       .       .       .       ?
C24  C25  C34  C29  -173.5(4)     .       .       .       .       ?
C28  C29  C34  C33   175.2(5)     .       .       .       .       ?
C30  C29  C34  C33    -3.9(7)     .       .       .       .       ?
C28  C29  C34  C25    -4.3(7)     .       .       .       .       ?
C30  C29  C34  C25   176.6(5)     .       .       .       .       ?

#------------------------------------------------------------------------------#
#                                EMBEDDED FILES                                #
#------------------------------------------------------------------------------#
#                                                                              #

#...............................................................................
# .RES SHELXL file: job.res
#...............................................................................



# ............... End of .RES file ........................................... #
#------------------------------------------------------------------------------#

#...............................................................................
# .HKL SHELXL file: job.hkl
#...............................................................................



# ............... End of .HKL file ........................................... #
#------------------------------------------------------------------------------#

#------------------------------------------------------------------------------#
#===END OF CIF FILE FOR AMEL15                                                 #
#------------------------------------------------------------------------------#
#                                                                              #
################################################################################
