#\#CIF_1.1

#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2019-07-04 at 10:24:28
#  Using CIFtbx version 3.0.4  1 Sep 2006

#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.4.5
#  Request file    : e:\xprogs\wingx\files\archive.reqdat
#  CIF files read  : 19sla006 project

#------------------ SECTION 1. GLOBAL INFORMATION ---------------------------#

data_global

#------------------ AUDIT DETAILS -------------------------------------------#

_audit_creation_date            2019-07-04
_audit_creation_method          'WinGX routine CIF_UPDATE'
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.4.3
_audit_conform_dict_location    ftp://ftp.iucr.org/pub/cif_core.dic
_audit_update_record            ?

#------------------ AUTHOR DETAILS -------------------------------------------#

# Name and address of author for correspondence

_publ_contact_author_name       'Zaragoza, Guillermo.'
_publ_contact_author_address
;
Unidade de Raios X. RIAIDT
Edificio CACTUS. Campus Vida
Universidade de Santiago de Compostela
E-15782 Santiago de Compostela
Spain
;
_publ_contact_author_email       'g.zaragoza@usc.es'
_publ_contact_author_fax         '+34 881816203'
_publ_contact_author_phone       '+34 881816223'

#------------------  SECTION 2. COMPOUND(S) DETAILS -------------------------#

data_shelx

_audit_creation_date                    2019-07-04T10:24:28-00:00
_audit_creation_method                  'WinGX routine CIF_UPDATE'
_audit_conform_dict_name                cif_core.dic
_audit_conform_dict_version             2.4.5
_audit_conform_dict_location            ftp://ftp.iucr.org/pub/cif_core.dic
_publ_requested_category                FO

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

_chemical_formula_moiety                'C22 H24 O4'
_chemical_formula_sum                   'C22 H24 O4'
_chemical_formula_weight                352.41

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

_symmetry_cell_setting                  monoclinic
_symmetry_space_group_name_H-M          'P 21/c'
_symmetry_space_group_name_Hall         '-P 2ybc'
_symmetry_Int_Tables_number             14
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                          16.8212(12)
_cell_length_b                          15.5272(11)
_cell_length_c                          6.9008(5)
_cell_angle_alpha                       90
_cell_angle_beta                        96.655(4)
_cell_angle_gamma                       90
_cell_volume                            1790.2(2)
_cell_formula_units_Z                   4
_cell_measurement_temperature           100(2)
_cell_measurement_reflns_used           1943
_cell_measurement_theta_min             3.88
_cell_measurement_theta_max             77.14
_cell_measurement_wavelength            1.54178

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

_exptl_crystal_description              plate
_exptl_crystal_colour                   Colourless
_exptl_crystal_size_max                 0.25
_exptl_crystal_size_mid                 0.20
_exptl_crystal_size_min                 0.18
_exptl_crystal_density_diffrn           1.308
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    752

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

_exptl_absorpt_coefficient_mu           0.717
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details          'BRUKER SADABS-2016/2'
_exptl_absorpt_correction_T_min         0.8413
_exptl_absorpt_correction_T_max         0.8895
_shelx_estimated_absorpt_T_min          0.841
_shelx_estimated_absorpt_T_max          0.882

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

_diffrn_ambient_temperature             100(2)
_diffrn_radiation_wavelength            1.54184
_diffrn_radiation_type                  CuK\a
_diffrn_radiation_probe                 x-ray
_diffrn_radiation_monochromator         'Incoatec multilayer mirror'
_diffrn_source                          'INCOATEC microfocus sealed tube'
_diffrn_source_type                     'Incoatec I\mS 3.0'
_diffrn_measurement_device_type            'Bruker D8 VENTURE PHOTON III-14'
_diffrn_measurement_method                 'omega and phi'
_diffrn_detector_area_resol_mean        7.3910
_diffrn_standards_number                0
_diffrn_standards_interval_time         .
_diffrn_standards_interval_count        .
_diffrn_standards_decay_%               ?
_diffrn_reflns_av_R_equivalents         0.0367
_diffrn_reflns_av_unetI/netI            0.0137
_diffrn_reflns_number                   65942
_diffrn_reflns_limit_h_min              -21
_diffrn_reflns_limit_h_max              20
_diffrn_reflns_limit_k_min              -19
_diffrn_reflns_limit_k_max              19
_diffrn_reflns_limit_l_min              -8
_diffrn_reflns_limit_l_max              8
_diffrn_reflns_theta_min                2.645
_diffrn_reflns_theta_max                74.457
_diffrn_reflns_theta_full               67.679
_diffrn_measured_fraction_theta_full
                                        0.994
_diffrn_measured_fraction_theta_max
                                        0.995
_diffrn_reflns_Laue_measured_fraction_full
                                        0.994
_diffrn_reflns_Laue_measured_fraction_max
                                        0.995
_diffrn_reflns_point_group_measured_fraction_full
                                        0.994
_diffrn_reflns_point_group_measured_fraction_max
                                        0.995
_reflns_Friedel_coverage                0
_reflns_number_total                    3644
_reflns_number_gt                       3551
_reflns_threshold_expression            'I > 2σ(I)'

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

_computing_data_collection              'APPEX3v2018.7-2 (BRUKER AXS, 2005)'
_computing_cell_refinement              'APPEX3v2018.7-2 (BRUKER AXS, 2005)'
_computing_data_reduction               'APPEX3v2018.7-2 (BRUKER AXS, 2005)' 
_computing_structure_solution           'SHELXT-2018/2 (Sheldrick, 2015)'
_computing_structure_refinement         'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics           'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary            dual
_atom_sites_solution_secondary          dual
_atom_sites_solution_hydrogens          geom

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

_shelx_SHELXL_version_number            2018/3
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0517P)²+0.7109P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment           constr
_refine_ls_extinction_method            none
_refine_ls_number_reflns                3644
_refine_ls_number_parameters            240
_refine_ls_number_restraints            0
_refine_ls_number_constraints           0
_refine_ls_R_factor_all                 0.0351
_refine_ls_R_factor_gt                  0.0345
_refine_ls_wR_factor_ref                0.0935
_refine_ls_wR_factor_gt                 0.093
_refine_ls_goodness_of_fit_ref          1.024
_refine_ls_restrained_S_all             1.024
_refine_ls_shift/su_max                 0.001
_refine_ls_shift/su_mean                0
_refine_diff_density_max                0.297
_refine_diff_density_min                -0.185
_refine_diff_density_rms                0.038

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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 0.81761(6) 0.55951(6) 0.31987(14) 0.0130(2) Uani 1 1 d . . . . .
C2 C 0.89781(6) 0.58581(6) 0.33438(14) 0.0152(2) Uani 1 1 d . . . . .
H2 H 0.937843 0.550487 0.402608 0.018 Uiso 1 1 calc R U . . .
C3 C 0.92006(6) 0.66213(7) 0.25153(15) 0.0177(2) Uani 1 1 d . . . . .
H3 H 0.974762 0.678729 0.263249 0.021 Uiso 1 1 calc R U . . .
C4 C 0.86198(7) 0.71431(7) 0.15118(15) 0.0191(2) Uani 1 1 d . . . . .
H4 H 0.876763 0.766925 0.094882 0.023 Uiso 1 1 calc R U . . .
C5 C 0.78248(6) 0.68918(7) 0.13376(15) 0.0178(2) Uani 1 1 d . . . . .
H5 H 0.74288 0.724655 0.064377 0.021 Uiso 1 1 calc R U . . .
C6 C 0.75980(6) 0.61215(6) 0.21715(14) 0.0141(2) Uani 1 1 d . . . . .
C7 C 0.67290(6) 0.58471(6) 0.18138(14) 0.0150(2) Uani 1 1 d . . . . .
H7 H 0.654302 0.602067 0.044046 0.018 Uiso 1 1 calc R U . . .
C8 C 0.66388(6) 0.48795(6) 0.18640(14) 0.0146(2) Uani 1 1 d . . . . .
C9 C 0.59985(6) 0.44981(7) 0.06963(15) 0.0184(2) Uani 1 1 d . . . . .
H9 H 0.563613 0.485232 -0.010617 0.022 Uiso 1 1 calc R U . . .
C10 C 0.58825(6) 0.36167(7) 0.06862(16) 0.0212(2) Uani 1 1 d . . . . .
H10 H 0.544053 0.33676 -0.009884 0.025 Uiso 1 1 calc R U . . .
C11 C 0.64218(6) 0.30992(7) 0.18413(16) 0.0206(2) Uani 1 1 d . . . . .
H11 H 0.634333 0.249359 0.186917 0.025 Uiso 1 1 calc R U . . .
C12 C 0.70723(6) 0.34670(7) 0.29490(15) 0.0172(2) Uani 1 1 d . . . . .
H12 H 0.744366 0.310573 0.370652 0.021 Uiso 1 1 calc R U . . .
C13 C 0.71971(6) 0.43610(6) 0.29809(14) 0.0137(2) Uani 1 1 d . . . . .
C14 C 0.79617(6) 0.47366(6) 0.41140(14) 0.0132(2) Uani 1 1 d . . . . .
O1 O 0.62827(5) 0.70961(5) 0.35077(12) 0.02403(19) Uani 1 1 d . . . . .
C15 C 0.61953(6) 0.63467(7) 0.30934(15) 0.0170(2) Uani 1 1 d . . . . .
O2 O 0.55918(5) 0.58619(5) 0.36004(12) 0.02220(19) Uani 1 1 d . . . . .
C16 C 0.50900(7) 0.62804(8) 0.4890(2) 0.0300(3) Uani 1 1 d . . . . .
H16A H 0.482669 0.678052 0.422933 0.045 Uiso 1 1 calc R U . . .
H16B H 0.542044 0.646968 0.607702 0.045 Uiso 1 1 calc R U . . .
H16C H 0.468366 0.587403 0.523674 0.045 Uiso 1 1 calc R U . . .
C17 C 0.78834(6) 0.48442(7) 0.63840(14) 0.0158(2) Uani 1 1 d . . . . .
C18 C 0.72241(7) 0.54999(7) 0.66488(15) 0.0211(2) Uani 1 1 d . . . . .
H18A H 0.735115 0.604954 0.605823 0.032 Uiso 1 1 calc R U . . .
H18B H 0.718846 0.558409 0.804355 0.032 Uiso 1 1 calc R U . . .
H18C H 0.671082 0.528545 0.601412 0.032 Uiso 1 1 calc R U . . .
C19 C 0.76443(7) 0.39970(7) 0.73154(16) 0.0212(2) Uani 1 1 d . . . . .
H19A H 0.711895 0.381207 0.669197 0.032 Uiso 1 1 calc R U . . .
H19B H 0.761874 0.408654 0.871261 0.032 Uiso 1 1 calc R U . . .
H19C H 0.804288 0.355266 0.713525 0.032 Uiso 1 1 calc R U . . .
C20 C 0.86607(7) 0.51870(7) 0.75233(15) 0.0196(2) Uani 1 1 d . . . . .
H20A H 0.910331 0.479579 0.734258 0.029 Uiso 1 1 calc R U . . .
H20B H 0.859472 0.522248 0.891353 0.029 Uiso 1 1 calc R U . . .
H20C H 0.87786 0.576082 0.703867 0.029 Uiso 1 1 calc R U . . .
C21 C 0.86330(6) 0.40932(6) 0.37694(15) 0.0144(2) Uani 1 1 d . . . . .
O3 O 0.90337(5) 0.36741(5) 0.49859(11) 0.02344(19) Uani 1 1 d . . . . .
C22 C 0.93054(7) 0.34460(8) 0.13292(18) 0.0260(3) Uani 1 1 d . . . . .
H22A H 0.934845 0.34958 -0.007055 0.039 Uiso 1 1 calc R U . . .
H22B H 0.914543 0.285825 0.162667 0.039 Uiso 1 1 calc R U . . .
H22C H 0.98246 0.357651 0.206796 0.039 Uiso 1 1 calc R U . . .
O4 O 0.87133(4) 0.40462(5) 0.18643(11) 0.01873(17) 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 C6 1.3987(14) . ?
C1 C2 1.4019(14) . ?
C1 C14 1.5358(13) . ?
C2 C3 1.3860(14) . ?
C2 H2 0.95 . ?
C3 C4 1.3905(15) . ?
C3 H3 0.95 . ?
C4 C5 1.3848(15) . ?
C4 H4 0.95 . ?
C5 C6 1.3994(14) . ?
C5 H5 0.95 . ?
C6 C7 1.5151(14) . ?
C7 C8 1.5108(14) . ?
C7 C15 1.5398(14) . ?
C7 H7 1 . ?
C8 C13 1.3988(14) . ?
C8 C9 1.3996(14) . ?
C9 C10 1.3823(16) . ?
C9 H9 0.95 . ?
C10 C11 1.3916(16) . ?
C10 H10 0.95 . ?
C11 C12 1.3835(15) . ?
C11 H11 0.95 . ?
C12 C13 1.4037(14) . ?
C12 H12 0.95 . ?
C13 C14 1.5404(13) . ?
C14 C21 1.5466(13) . ?
C14 C17 1.5959(13) . ?
O1 C15 1.2032(13) . ?
C15 O2 1.3423(13) . ?
O2 C16 1.4496(13) . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 C18 1.5319(14) . ?
C17 C19 1.5379(14) . ?
C17 C20 1.5405(14) . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 H20A 0.98 . ?
C20 H20B 0.98 . ?
C20 H20C 0.98 . ?
C21 O3 1.2048(13) . ?
C21 O4 1.3390(12) . ?
C22 O4 1.4430(12) . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?

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
C6 C1 C2 118.21(9) . . ?
C6 C1 C14 122.21(9) . . ?
C2 C1 C14 119.56(9) . . ?
C3 C2 C1 121.55(9) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C2 C3 C4 119.73(10) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 119.65(9) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 120.78(10) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 120.08(9) . . ?
C1 C6 C7 121.28(9) . . ?
C5 C6 C7 118.51(9) . . ?
C8 C7 C6 111.93(8) . . ?
C8 C7 C15 114.90(8) . . ?
C6 C7 C15 112.37(8) . . ?
C8 C7 H7 105.6 . . ?
C6 C7 H7 105.6 . . ?
C15 C7 H7 105.6 . . ?
C13 C8 C9 119.76(9) . . ?
C13 C8 C7 121.48(9) . . ?
C9 C8 C7 118.70(9) . . ?
C10 C9 C8 121.37(10) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 119.12(10) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C12 C11 C10 119.96(10) . . ?
C12 C11 H11 120 . . ?
C10 C11 H11 120 . . ?
C11 C12 C13 121.61(10) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C8 C13 C12 118.10(9) . . ?
C8 C13 C14 121.98(9) . . ?
C12 C13 C14 119.80(9) . . ?
C1 C14 C13 109.99(8) . . ?
C1 C14 C21 106.68(8) . . ?
C13 C14 C21 105.01(8) . . ?
C1 C14 C17 111.28(8) . . ?
C13 C14 C17 112.26(8) . . ?
C21 C14 C17 111.31(8) . . ?
O1 C15 O2 123.75(10) . . ?
O1 C15 C7 124.07(10) . . ?
O2 C15 C7 112.07(9) . . ?
C15 O2 C16 114.86(9) . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 106.89(9) . . ?
C18 C17 C20 107.03(9) . . ?
C19 C17 C20 109.26(8) . . ?
C18 C17 C14 109.27(8) . . ?
C19 C17 C14 112.09(8) . . ?
C20 C17 C14 112.05(8) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O3 C21 O4 122.87(9) . . ?
O3 C21 C14 126.96(9) . . ?
O4 C21 C14 110.16(8) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 O4 C22 115.95(8) . . ?

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
C6 C1 C2 C3 0.60(14) . . . . ?
C14 C1 C2 C3 179.03(9) . . . . ?
C1 C2 C3 C4 -0.05(15) . . . . ?
C2 C3 C4 C5 -0.48(15) . . . . ?
C3 C4 C5 C6 0.45(15) . . . . ?
C2 C1 C6 C5 -0.62(14) . . . . ?
C14 C1 C6 C5 -179.00(9) . . . . ?
C2 C1 C6 C7 175.08(9) . . . . ?
C14 C1 C6 C7 -3.31(14) . . . . ?
C4 C5 C6 C1 0.10(15) . . . . ?
C4 C5 C6 C7 -175.71(9) . . . . ?
C1 C6 C7 C8 -24.61(13) . . . . ?
C5 C6 C7 C8 151.16(9) . . . . ?
C1 C6 C7 C15 106.43(10) . . . . ?
C5 C6 C7 C15 -77.81(11) . . . . ?
C6 C7 C8 C13 28.32(13) . . . . ?
C15 C7 C8 C13 -101.40(11) . . . . ?
C6 C7 C8 C9 -148.93(9) . . . . ?
C15 C7 C8 C9 81.35(11) . . . . ?
C13 C8 C9 C10 2.99(15) . . . . ?
C7 C8 C9 C10 -179.71(9) . . . . ?
C8 C9 C10 C11 -0.97(16) . . . . ?
C9 C10 C11 C12 -1.29(16) . . . . ?
C10 C11 C12 C13 1.56(16) . . . . ?
C9 C8 C13 C12 -2.67(14) . . . . ?
C7 C8 C13 C12 -179.89(9) . . . . ?
C9 C8 C13 C14 173.17(9) . . . . ?
C7 C8 C13 C14 -4.06(14) . . . . ?
C11 C12 C13 C8 0.45(15) . . . . ?
C11 C12 C13 C14 -175.49(9) . . . . ?
C6 C1 C14 C13 26.94(12) . . . . ?
C2 C1 C14 C13 -151.43(9) . . . . ?
C6 C1 C14 C21 140.31(9) . . . . ?
C2 C1 C14 C21 -38.05(11) . . . . ?
C6 C1 C14 C17 -98.11(10) . . . . ?
C2 C1 C14 C17 83.53(11) . . . . ?
C8 C13 C14 C1 -23.21(12) . . . . ?
C12 C13 C14 C1 152.56(9) . . . . ?
C8 C13 C14 C21 -137.65(9) . . . . ?
C12 C13 C14 C21 38.12(11) . . . . ?
C8 C13 C14 C17 101.27(10) . . . . ?
C12 C13 C14 C17 -82.96(11) . . . . ?
C8 C7 C15 O1 166.38(10) . . . . ?
C6 C7 C15 O1 36.87(14) . . . . ?
C8 C7 C15 O2 -17.24(12) . . . . ?
C6 C7 C15 O2 -146.75(9) . . . . ?
O1 C15 O2 C16 -6.64(15) . . . . ?
C7 C15 O2 C16 176.97(9) . . . . ?
C1 C14 C17 C18 60.01(10) . . . . ?
C13 C14 C17 C18 -63.76(10) . . . . ?
C21 C14 C17 C18 178.85(8) . . . . ?
C1 C14 C17 C19 178.31(8) . . . . ?
C13 C14 C17 C19 54.54(11) . . . . ?
C21 C14 C17 C19 -62.85(11) . . . . ?
C1 C14 C17 C20 -58.44(11) . . . . ?
C13 C14 C17 C20 177.79(8) . . . . ?
C21 C14 C17 C20 60.41(11) . . . . ?
C1 C14 C21 O3 125.43(11) . . . . ?
C13 C14 C21 O3 -117.83(11) . . . . ?
C17 C14 C21 O3 3.87(14) . . . . ?
C1 C14 C21 O4 -55.40(10) . . . . ?
C13 C14 C21 O4 61.33(10) . . . . ?
C17 C14 C21 O4 -176.96(8) . . . . ?
O3 C21 O4 C22 1.05(14) . . . . ?
C14 C21 O4 C22 -178.15(8) . . . . ?



# END of CIF
