data_global
_audit_creation_date                               2020-01-26
_audit_creation_method                            'by CrystalStructure 4.2'
_audit_update_record                               ?

#==============================================================================
# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic                      ?
_journal_date_from_coeditor                        ?
_journal_date_accepted                             ?
_journal_coeditor_code                             ?

#==============================================================================
# SUBMISSION DETAILS

_publ_contact_author_name                         'ENTER NAME'
_publ_contact_author_email                        'ENTER EMAIL ADDRESS'
_publ_contact_author_fax                          'ENTER FAX NUMBER'
_publ_contact_author_phone                        'ENTER PHONE NUMBER'
_publ_contact_letter
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal                           'ENTER JOURNAL NAME HERE'
_publ_requested_category
                                               'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name                      ?

#==============================================================================
# TITLE AND AUTHOR LIST

_publ_section_title
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis
;
    ENTER SYNOPSIS
;

#==============================================================================
# TEXT

_publ_section_abstract
;
    ENTER ABSTRACT
;
_publ_section_comment
;
    ENTER TEXT
;
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku (2017). CrystalStructure. Version 4.2. 
    Rigaku Corporation, Tokyo, Japan.

    L. Palatinus, G. Chapuis (2007)
    J. Appl. Cryst. 40, 786-790
    SuperFlip

    Sheldrick, G.M. (2008) SHELXL Version 2017/1, Acta Cryst. A64, 112-122.

    Rigaku (1995). ABSCOR. 
    Rigaku Corporation, Tokyo, Japan.

;
_publ_section_figure_captions
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================
data_6b

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum                             'C26 H22 N4 O'
_chemical_formula_moiety                          'C26 H22 N4 O'
_chemical_formula_weight                           406.49
_chemical_melting_point                            ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system                        triclinic
_space_group_name_H-M_alt                         'P -1'
_space_group_name_Hall                            '-P 1'
_space_group_IT_number                             2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1   '+X,+Y,+Z'
2   '-X,-Y,-Z'
#------------------------------------------------------------------------------
_cell_length_a                                     5.6471(7)
_cell_length_b                                     9.3471(12)
_cell_length_c                                     20.515(2)
_cell_angle_alpha                                  86.434(6)
_cell_angle_beta                                   89.453(6)
_cell_angle_gamma                                  83.523(6)
_cell_volume                                       1073.9(2)
_cell_formula_units_Z                              2
_cell_measurement_reflns_used                      3680
_cell_measurement_theta_min                        3.06
_cell_measurement_theta_max                        24.97
_cell_measurement_temperature                      293
#------------------------------------------------------------------------------
_exptl_crystal_description                         Block
_exptl_crystal_colour                              Colorless
_exptl_crystal_size_max                            0.200
_exptl_crystal_size_mid                            0.200
_exptl_crystal_size_min                            0.070
_exptl_crystal_density_diffrn                      1.257
_exptl_crystal_density_meas                        ?
_exptl_crystal_density_method                     'not measured'
_exptl_crystal_F_000                               428.00
_exptl_absorpt_coefficient_mu                      0.079
_exptl_absorpt_correction_type                     multi-scan
_exptl_absorpt_process_details                    'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min                    0.313
_exptl_absorpt_correction_T_max                    0.994

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature                        293
_diffrn_radiation_type                            'Mo K\a'
_diffrn_radiation_wavelength                       0.71075
_diffrn_measurement_device_type                   'Rigaku R-AXIS RAPID'
_diffrn_measurement_method                         ω
_diffrn_detector_area_resol_mean                   10.000
_diffrn_reflns_number                              7387
_diffrn_reflns_av_R_equivalents                    0.0569
_diffrn_reflns_theta_max                           25.014
_diffrn_reflns_theta_min                           3.054
_diffrn_reflns_theta_full                          25.014
_diffrn_measured_fraction_theta_max                0.979
_diffrn_measured_fraction_theta_full               0.979
_diffrn_reflns_Laue_measured_fraction_max          0.979
_diffrn_reflns_Laue_measured_fraction_full         0.979
_diffrn_reflns_point_group_measured_fraction_max   0.979
_diffrn_reflns_point_group_measured_fraction_full  0.979
_diffrn_reflns_limit_h_min                        -6
_diffrn_reflns_limit_h_max                         6
_diffrn_reflns_limit_k_min                        -11
_diffrn_reflns_limit_k_max                         10
_diffrn_reflns_limit_l_min                        -24
_diffrn_reflns_limit_l_max                         24
_diffrn_standards_number                           0
_diffrn_standards_interval_count                   .
_diffrn_standards_decay_%                          ?
_reflns_number_total                               3718
_reflns_number_gt                                  1544
_reflns_threshold_expression                       F²>2.0σ(F²)
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .

#==============================================================================
# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef                   Fsqd
_refine_ls_R_factor_all                            0.1575
_refine_ls_R_factor_gt                             0.0480
_refine_ls_wR_factor_ref                           0.1011
_refine_ls_wR_factor_gt                            0.0789
_refine_ls_number_restraints                       0
_refine_ls_hydrogen_treatment                      constr
_refine_ls_number_reflns                           3718
_refine_ls_number_parameters                       280
_refine_ls_goodness_of_fit_ref                     0.859
_refine_ls_weighting_scheme                        calc
_refine_ls_weighting_details
                   'w = 1/[σ²(Fo²)+(0.0315P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens                     geom
_atom_sites_solution_primary                       direct
_atom_sites_solution_secondary                     difmap
_refine_ls_shift/su_max                            0.000
_refine_diff_density_max                           0.17
_refine_diff_density_min                          -0.14
_refine_ls_extinction_method                       none
_refine_ls_extinction_coef                         ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'H' 'H'  0.0000 0.0000 
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
  'N' 'N'  0.0061 0.0033 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'O' 'O'  0.0106 0.0060 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
O1 O 0.4772(3) 0.74501(18) -0.00744(10) 0.0707(6) Uani 1 1 d . . . . .
N1 N -0.1125(4) 0.4239(2) -0.29356(11) 0.0644(7) Uani 1 1 d . . . . .
H1 H -0.253445 0.468078 -0.299406 0.077 Uiso 1 1 calc R U . . .
N2 N 0.0242(4) 0.4582(2) -0.24336(12) 0.0597(7) Uani 1 1 d . . . . .
N3 N 0.3037(4) 1.0701(2) 0.25587(11) 0.0569(7) Uani 1 1 d . . . . .
N4 N 0.2189(4) 1.1201(2) 0.31324(12) 0.0630(7) Uani 1 1 d . . . . .
H4A H 0.082284 1.099264 0.327368 0.076 Uiso 1 1 calc R U . . .
C1 C -0.0260(5) 0.3189(3) -0.33499(14) 0.0527(8) Uani 1 1 d . . . . .
C2 C 0.2004(5) 0.2440(3) -0.32666(14) 0.0628(8) Uani 1 1 d . . . . .
H2 H 0.300056 0.267129 -0.294006 0.075 Uiso 1 1 calc R U . . .
C3 C 0.2749(5) 0.1366(3) -0.36668(16) 0.0700(9) Uani 1 1 d . . . . .
H3 H 0.425157 0.085983 -0.360282 0.084 Uiso 1 1 calc R U . . .
C4 C 0.1342(5) 0.1011(3) -0.41626(14) 0.0702(9) Uani 1 1 d . . . . .
H4 H 0.187551 0.027942 -0.443348 0.084 Uiso 1 1 calc R U . . .
C5 C -0.0895(6) 0.1778(3) -0.42462(15) 0.0762(9) Uani 1 1 d . . . . .
H5 H -0.187941 0.155110 -0.457659 0.091 Uiso 1 1 calc R U . . .
C6 C -0.1677(5) 0.2858(3) -0.38526(14) 0.0665(9) Uani 1 1 d . . . . .
H6 H -0.316918 0.337320 -0.392257 0.080 Uiso 1 1 calc R U . . .
C7 C -0.0614(5) 0.5596(3) -0.20826(14) 0.0612(8) Uani 1 1 d . . . . .
H7 H -0.212984 0.606088 -0.217297 0.073 Uiso 1 1 calc R U . . .
C8 C 0.0724(5) 0.6039(2) -0.15464(13) 0.0518(7) Uani 1 1 d . . . . .
C9 C -0.0158(5) 0.7208(3) -0.12017(13) 0.0578(7) Uani 1 1 d . . . . .
H9 H -0.164963 0.768267 -0.131259 0.069 Uiso 1 1 calc R U . . .
C10 C 0.1081(5) 0.7702(3) -0.06983(14) 0.0651(8) Uani 1 1 d . . . . .
H10 H 0.044430 0.849211 -0.047438 0.078 Uiso 1 1 calc R U . . .
C11 C 0.3287(5) 0.6986(3) -0.05393(14) 0.0601(8) Uani 1 1 d . . . . .
C12 C 0.4217(5) 0.5812(3) -0.08597(14) 0.0649(8) Uani 1 1 d . . . . .
H12 H 0.569282 0.533050 -0.073836 0.078 Uiso 1 1 calc R U . . .
C13 C 0.2965(5) 0.5341(3) -0.13631(13) 0.0613(8) Uani 1 1 d . . . . .
H13 H 0.361683 0.454988 -0.158374 0.074 Uiso 1 1 calc R U . . .
C14 C 0.3916(5) 0.8020(3) 0.04957(15) 0.0564(8) Uani 1 1 d . . . . .
C15 C 0.1904(5) 0.7628(2) 0.08231(15) 0.0593(8) Uani 1 1 d . . . . .
H15 H 0.098294 0.698123 0.064932 0.071 Uiso 1 1 calc R U . . .
C16 C 0.1290(5) 0.8215(3) 0.14116(15) 0.0587(8) Uani 1 1 d . . . . .
H16 H -0.006437 0.796103 0.163079 0.070 Uiso 1 1 calc R U . . .
C17 C 0.2647(5) 0.9172(3) 0.16828(15) 0.0533(8) Uani 1 1 d . . . . .
C18 C 0.4670(5) 0.9533(3) 0.13483(15) 0.0600(8) Uani 1 1 d . . . . .
H18 H 0.561218 1.016731 0.152363 0.072 Uiso 1 1 calc R U . . .
C19 C 0.5286(5) 0.8967(3) 0.07663(15) 0.0591(8) Uani 1 1 d . . . . .
H19 H 0.664399 0.921999 0.054825 0.071 Uiso 1 1 calc R U . . .
C20 C 0.1908(5) 0.9770(3) 0.22958(15) 0.0612(8) Uani 1 1 d . . . . .
H20 H 0.056850 0.946894 0.250644 0.073 Uiso 1 1 calc R U . . .
C21 C 0.3493(5) 1.2044(3) 0.34957(15) 0.0542(7) Uani 1 1 d . . . . .
C22 C 0.2777(5) 1.2316(3) 0.41200(15) 0.0650(8) Uani 1 1 d . . . . .
H22 H 0.143669 1.193452 0.429176 0.078 Uiso 1 1 calc R U . . .
C23 C 0.4019(6) 1.3151(3) 0.44987(15) 0.0753(9) Uani 1 1 d . . . . .
H23 H 0.351005 1.333060 0.492127 0.090 Uiso 1 1 calc R U . . .
C24 C 0.6025(6) 1.3719(3) 0.42464(18) 0.0786(10) Uani 1 1 d . . . . .
H24 H 0.688282 1.427537 0.449730 0.094 Uiso 1 1 calc R U . . .
C25 C 0.6719(5) 1.3445(3) 0.36215(17) 0.0686(9) Uani 1 1 d . . . . .
H25 H 0.805046 1.383569 0.344924 0.082 Uiso 1 1 calc R U . . .
C26 C 0.5503(5) 1.2603(3) 0.32355(13) 0.0590(8) Uani 1 1 d . . . . .
H26 H 0.601994 1.241719 0.281415 0.071 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection
                                'CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)'
_computing_cell_refinement
                                               'CrystalClear-SM Expert 2.1 b46'
_computing_data_reduction
                                               'CrystalClear-SM Expert 2.1 b46'
_computing_structure_solution
                                          'Superflip (Palatinus, et al., 2007)'
_computing_structure_refinement
                                      'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material
                                          'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_molecular_graphics                     'CrystalStructure 4.2'

#==============================================================================
# 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
O1 C14 1.376(3) . ?
O1 C11 1.396(3) . ?
N1 N2 1.368(2) . ?
N1 C1 1.383(3) . ?
N1 H1 0.8600 . ?
N2 C7 1.275(3) . ?
N3 C20 1.283(3) . ?
N3 N4 1.356(3) . ?
N4 C21 1.391(3) . ?
N4 H4A 0.8600 . ?
C1 C6 1.382(3) . ?
C1 C2 1.393(3) . ?
C2 C3 1.363(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.376(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.387(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.364(3) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.448(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.381(3) . ?
C8 C13 1.400(3) . ?
C9 C10 1.384(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.378(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.366(3) . ?
C12 C13 1.379(3) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C19 1.384(3) . ?
C14 C15 1.387(3) . ?
C15 C16 1.382(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.386(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.391(3) . ?
C17 C20 1.447(4) . ?
C18 C19 1.362(3) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.370(4) . ?
C21 C26 1.391(3) . ?
C22 C23 1.383(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.387(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.368(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.388(3) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?

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
C14 O1 C11 122.6(2) . . ?
N2 N1 C1 120.6(2) . . ?
N2 N1 H1 119.7 . . ?
C1 N1 H1 119.7 . . ?
C7 N2 N1 117.8(2) . . ?
C20 N3 N4 117.6(3) . . ?
N3 N4 C21 121.1(3) . . ?
N3 N4 H4A 119.5 . . ?
C21 N4 H4A 119.5 . . ?
C6 C1 N1 119.5(3) . . ?
C6 C1 C2 119.1(3) . . ?
N1 C1 C2 121.4(3) . . ?
C3 C2 C1 119.6(3) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 121.9(3) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 118.0(3) . . ?
C3 C4 H4 121.0 . . ?
C5 C4 H4 121.0 . . ?
C6 C5 C4 121.2(3) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C1 120.2(3) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
N2 C7 C8 121.4(3) . . ?
N2 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C9 C8 C13 117.1(2) . . ?
C9 C8 C7 120.5(3) . . ?
C13 C8 C7 122.3(3) . . ?
C8 C9 C10 122.8(3) . . ?
C8 C9 H9 118.6 . . ?
C10 C9 H9 118.6 . . ?
C11 C10 C9 117.9(3) . . ?
C11 C10 H10 121.0 . . ?
C9 C10 H10 121.0 . . ?
C12 C11 C10 121.3(3) . . ?
C12 C11 O1 115.6(3) . . ?
C10 C11 O1 123.0(3) . . ?
C11 C12 C13 119.9(3) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C8 120.9(3) . . ?
C12 C13 H13 119.6 . . ?
C8 C13 H13 119.6 . . ?
O1 C14 C19 116.0(3) . . ?
O1 C14 C15 124.1(3) . . ?
C19 C14 C15 119.8(3) . . ?
C16 C15 C14 119.0(3) . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
C15 C16 C17 121.6(3) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C16 C17 C18 118.3(3) . . ?
C16 C17 C20 119.4(3) . . ?
C18 C17 C20 122.3(3) . . ?
C19 C18 C17 120.6(3) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C14 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
N3 C20 C17 122.3(3) . . ?
N3 C20 H20 118.9 . . ?
C17 C20 H20 118.9 . . ?
C22 C21 N4 119.0(3) . . ?
C22 C21 C26 120.0(3) . . ?
N4 C21 C26 121.0(3) . . ?
C21 C22 C23 121.0(3) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
C22 C23 C24 119.8(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C25 C24 C23 118.7(3) . . ?
C25 C24 H24 120.6 . . ?
C23 C24 H24 120.6 . . ?
C24 C25 C26 122.3(3) . . ?
C24 C25 H25 118.9 . . ?
C26 C25 H25 118.9 . . ?
C25 C26 C21 118.2(3) . . ?
C25 C26 H26 120.9 . . ?
C21 C26 H26 120.9 . . ?

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
C1 N1 N2 C7 177.4(3) . . . . ?
C20 N3 N4 C21 170.5(2) . . . . ?
N2 N1 C1 C6 179.8(2) . . . . ?
N2 N1 C1 C2 0.7(4) . . . . ?
C6 C1 C2 C3 -2.1(4) . . . . ?
N1 C1 C2 C3 177.0(2) . . . . ?
C1 C2 C3 C4 1.2(4) . . . . ?
C2 C3 C4 C5 -0.3(4) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C4 C5 C6 C1 -1.4(4) . . . . ?
N1 C1 C6 C5 -176.9(3) . . . . ?
C2 C1 C6 C5 2.3(4) . . . . ?
N1 N2 C7 C8 -179.3(2) . . . . ?
N2 C7 C8 C9 175.3(3) . . . . ?
N2 C7 C8 C13 -3.2(4) . . . . ?
C13 C8 C9 C10 0.5(4) . . . . ?
C7 C8 C9 C10 -178.0(3) . . . . ?
C8 C9 C10 C11 0.0(4) . . . . ?
C9 C10 C11 C12 -1.0(4) . . . . ?
C9 C10 C11 O1 175.1(2) . . . . ?
C14 O1 C11 C12 -145.1(3) . . . . ?
C14 O1 C11 C10 38.6(4) . . . . ?
C10 C11 C12 C13 1.5(4) . . . . ?
O1 C11 C12 C13 -174.9(2) . . . . ?
C11 C12 C13 C8 -0.9(4) . . . . ?
C9 C8 C13 C12 0.0(4) . . . . ?
C7 C8 C13 C12 178.5(3) . . . . ?
C11 O1 C14 C19 -153.3(2) . . . . ?
C11 O1 C14 C15 31.2(4) . . . . ?
O1 C14 C15 C16 176.4(2) . . . . ?
C19 C14 C15 C16 1.0(3) . . . . ?
C14 C15 C16 C17 -0.5(3) . . . . ?
C15 C16 C17 C18 -0.2(3) . . . . ?
C15 C16 C17 C20 179.2(2) . . . . ?
C16 C17 C18 C19 0.5(3) . . . . ?
C20 C17 C18 C19 -178.8(2) . . . . ?
C17 C18 C19 C14 -0.1(4) . . . . ?
O1 C14 C19 C18 -176.4(2) . . . . ?
C15 C14 C19 C18 -0.7(3) . . . . ?
N4 N3 C20 C17 179.6(2) . . . . ?
C16 C17 C20 N3 -177.3(2) . . . . ?
C18 C17 C20 N3 2.0(3) . . . . ?
N3 N4 C21 C22 -168.8(2) . . . . ?
N3 N4 C21 C26 10.8(3) . . . . ?
N4 C21 C22 C23 -179.9(2) . . . . ?
C26 C21 C22 C23 0.4(4) . . . . ?
C21 C22 C23 C24 -0.3(4) . . . . ?
C22 C23 C24 C25 0.5(4) . . . . ?
C23 C24 C25 C26 -0.9(4) . . . . ?
C24 C25 C26 C21 1.0(4) . . . . ?
C22 C21 C26 C25 -0.8(3) . . . . ?
N4 C21 C26 C25 179.6(2) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
