#------------------------------------------------------------------------------
#$Date: 2021-10-06 16:53:02 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/88/7128896.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7128896
loop_
_publ_author_name
'Liu, Xiaoyu'
'He, Kun'
'Gao, Na'
'Jiang, Peiyun'
'Lin, Jun'
'Jin, Yi'
_publ_section_title
;
 A radical-mediated multicomponent cascade reaction for the synthesis of
 azide-biindole derivatives.
;
_journal_issue                   76
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9696
_journal_page_last               9699
_journal_paper_doi               10.1039/d1cc03853b
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C22 H19 N7'
_chemical_formula_sum            'C22 H19 N7'
_chemical_formula_weight         381.44
_chemical_melting_point          417
_chemical_name_systematic
3'-azido-7,7'-dimethyl-2'-(4-methyl-1H-imidazol-1-yl)-1H,3'H-3,3'-biindole
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-08-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-08-24 deposited with the CCDC.	2021-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                68.608(5)
_cell_angle_beta                 84.564(5)
_cell_angle_gamma                75.181(4)
_cell_formula_units_Z            2
_cell_length_a                   8.0191(10)
_cell_length_b                   10.4708(13)
_cell_length_c                   13.0070(16)
_cell_measurement_reflns_used    4225
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      26.75
_cell_measurement_theta_min      2.63
_cell_volume                     983.1(2)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      170.0
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_Laue_measured_fraction_full 0.953
_diffrn_reflns_Laue_measured_fraction_max 0.948
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14068
_diffrn_reflns_point_group_measured_fraction_full 0.953
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.147
_diffrn_reflns_theta_min         2.213
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0994 before and 0.0525 after correction.
The Ratio of minimum to maximum transmission is 0.9030.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_description       block
_exptl_crystal_F_000             400
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Dichloromethane/Hexyl hydride'
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.200
_refine_diff_density_min         -0.236
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         4139
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0617P)²+0.2241P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1214
_refine_ls_wR_factor_ref         0.1445
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2681
_reflns_number_total             4139
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc03853b2.cif
_cod_data_source_block           mo_210824_09066_0m
_cod_depositor_comments
'Adding full bibliography for 7128895--7128897.cif.'
_cod_database_code               7128896
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.998
_shelx_estimated_absorpt_t_min   0.994
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N7-H7
 0.88 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C10(H10), C12(H12), C15(H15), C18(H18), C19(H19),
 C20(H20)
3.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C13(H13A,H13B,H13C), C22(H22A,H22B,H22C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
N1 N 0.29358(19) 0.53207(19) 0.57224(14) 0.0437(4) Uani 1 1 d . . . . .
N2 N 0.44611(19) 0.39906(17) 0.73686(13) 0.0376(4) Uani 1 1 d . . . . .
N3 N 0.5866(2) 0.24307(18) 0.88768(14) 0.0427(4) Uani 1 1 d . . . . .
N4 N 0.5691(2) 0.6709(2) 0.65902(15) 0.0514(5) Uani 1 1 d . . . . .
N5 N 0.6329(2) 0.72397(19) 0.56899(16) 0.0481(5) Uani 1 1 d . . . . .
N6 N 0.7087(3) 0.7701(3) 0.4922(2) 0.0746(7) Uani 1 1 d . . . . .
N7 N 0.2620(2) 0.76367(19) 0.90924(15) 0.0440(4) Uani 1 1 d D . . . .
C1 C 0.1417(3) 0.7331(3) 0.41028(18) 0.0529(6) Uani 1 1 d . . . . .
C2 C 0.1019(3) 0.8803(3) 0.3598(2) 0.0661(8) Uani 1 1 d . . . . .
H2 H 0.036833 0.922851 0.293397 0.079 Uiso 1 1 calc R . . . .
C3 C 0.1543(3) 0.9657(3) 0.4034(2) 0.0678(8) Uani 1 1 d . . . . .
H3 H 0.126062 1.065065 0.365600 0.081 Uiso 1 1 calc R . . . .
C4 C 0.2479(3) 0.9098(2) 0.5019(2) 0.0570(6) Uani 1 1 d . . . . .
H4 H 0.282134 0.968558 0.532727 0.068 Uiso 1 1 calc R . . . .
C5 C 0.2880(2) 0.7644(2) 0.55202(17) 0.0444(5) Uani 1 1 d . . . . .
C6 C 0.2375(2) 0.6790(2) 0.50658(17) 0.0437(5) Uani 1 1 d . . . . .
C7 C 0.3712(2) 0.5271(2) 0.65529(16) 0.0380(5) Uani 1 1 d . . . . .
C8 C 0.3828(2) 0.6705(2) 0.65896(17) 0.0398(5) Uani 1 1 d . . . . .
C9 C 0.0856(3) 0.6410(3) 0.3626(2) 0.0689(8) Uani 1 1 d . . . . .
H9A H 0.170052 0.621173 0.307429 0.103 Uiso 1 1 calc GR . . . .
H9B H -0.027329 0.689196 0.327459 0.103 Uiso 1 1 calc GR . . . .
H9C H 0.077409 0.552028 0.421529 0.103 Uiso 1 1 calc GR . . . .
H7 H 0.291(4) 0.776(3) 0.9697(18) 0.083 Uiso 1 1 d DR . . . .
C10 C 0.5252(2) 0.3775(2) 0.83250(16) 0.0395(5) Uani 1 1 d . . . . .
H10 H 0.534431 0.451287 0.856061 0.047 Uiso 1 1 calc R . . . .
C11 C 0.5451(3) 0.1722(2) 0.82514(18) 0.0433(5) Uani 1 1 d . . . . .
C12 C 0.4592(2) 0.2657(2) 0.73341(18) 0.0425(5) Uani 1 1 d . . . . .
H12 H 0.416030 0.244692 0.677416 0.051 Uiso 1 1 calc R . . . .
C13 C 0.5989(3) 0.0159(2) 0.8589(2) 0.0628(7) Uani 1 1 d . . . . .
H13A H 0.723018 -0.015845 0.874145 0.094 Uiso 1 1 calc GR . . . .
H13B H 0.573602 -0.012397 0.799187 0.094 Uiso 1 1 calc GR . . . .
H13C H 0.535622 -0.027041 0.925505 0.094 Uiso 1 1 calc GR . . . .
C14 C 0.3027(2) 0.6992(2) 0.75980(16) 0.0363(4) Uani 1 1 d . . . . .
C15 C 0.3732(2) 0.7478(2) 0.82495(18) 0.0423(5) Uani 1 1 d . . . . .
H15 H 0.483917 0.767950 0.813865 0.051 Uiso 1 1 calc R . . . .
C16 C 0.1159(2) 0.7216(2) 0.89892(16) 0.0376(5) Uani 1 1 d . . . . .
C17 C 0.1364(2) 0.68100(19) 0.80588(16) 0.0344(4) Uani 1 1 d . . . . .
C18 C 0.0056(2) 0.6312(2) 0.77942(17) 0.0396(5) Uani 1 1 d . . . . .
H18 H 0.015531 0.603159 0.716942 0.048 Uiso 1 1 calc R . . . .
C19 C -0.1375(2) 0.6241(2) 0.84684(18) 0.0457(5) Uani 1 1 d . . . . .
H19 H -0.226878 0.589951 0.830564 0.055 Uiso 1 1 calc R . . . .
C20 C -0.1546(2) 0.6659(2) 0.93841(18) 0.0464(5) Uani 1 1 d . . . . .
H20 H -0.255657 0.658955 0.982493 0.056 Uiso 1 1 calc R . . . .
C21 C -0.0305(2) 0.7171(2) 0.96768(17) 0.0429(5) Uani 1 1 d . . . . .
C22 C -0.0474(3) 0.7628(3) 1.06491(19) 0.0593(7) Uani 1 1 d . . . . .
H22A H 0.051474 0.709075 1.114094 0.089 Uiso 1 1 calc GR . . . .
H22B H -0.154151 0.745681 1.104825 0.089 Uiso 1 1 calc GR . . . .
H22C H -0.050820 0.863818 1.039721 0.089 Uiso 1 1 calc GR . . . .
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_
_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
C7 N1 C6 106.04(18) . . ?
C10 N2 C7 128.47(18) . . ?
C10 N2 C12 106.09(17) . . ?
C12 N2 C7 125.41(18) . . ?
C10 N3 C11 105.43(17) . . ?
N5 N4 C8 116.28(17) . . ?
N6 N5 N4 172.1(2) . . ?
C15 N7 H7 124.9(18) . . ?
C15 N7 C16 107.71(18) . . ?
C16 N7 H7 125.4(18) . . ?
C2 C1 C9 122.0(2) . . ?
C6 C1 C2 115.5(3) . . ?
C6 C1 C9 122.5(2) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 C1 122.1(2) . . ?
C3 C2 H2 119.0 . . ?
C2 C3 H3 119.2 . . ?
C2 C3 C4 121.7(2) . . ?
C4 C3 H3 119.2 . . ?
C3 C4 H4 121.8 . . ?
C5 C4 C3 116.5(3) . . ?
C5 C4 H4 121.8 . . ?
C4 C5 C6 121.5(2) . . ?
C4 C5 C8 130.2(2) . . ?
C6 C5 C8 108.31(18) . . ?
C1 C6 N1 125.5(2) . . ?
C1 C6 C5 122.7(2) . . ?
C5 C6 N1 111.80(18) . . ?
N1 C7 N2 121.96(19) . . ?
N1 C7 C8 116.24(17) . . ?
N2 C7 C8 121.78(17) . . ?
N4 C8 C5 114.98(16) . . ?
N4 C8 C7 108.27(15) . . ?
N4 C8 C14 106.99(17) . . ?
C5 C8 C7 97.58(17) . . ?
C14 C8 C5 114.78(16) . . ?
C14 C8 C7 114.07(16) . . ?
C1 C9 H9A 109.5 . . ?
C1 C9 H9B 109.5 . . ?
C1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 H10 124.0 . . ?
N3 C10 N2 111.95(19) . . ?
N3 C10 H10 124.0 . . ?
N3 C11 C13 121.8(2) . . ?
C12 C11 N3 110.08(18) . . ?
C12 C11 C13 128.1(2) . . ?
N2 C12 H12 126.8 . . ?
C11 C12 N2 106.4(2) . . ?
C11 C12 H12 126.8 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C8 126.58(17) . . ?
C15 C14 C17 106.85(18) . . ?
C17 C14 C8 126.57(17) . . ?
N7 C15 H15 124.7 . . ?
C14 C15 N7 110.61(17) . . ?
C14 C15 H15 124.7 . . ?
N7 C16 C17 108.36(16) . . ?
N7 C16 C21 127.9(2) . . ?
C17 C16 C21 123.76(18) . . ?
C16 C17 C14 106.46(16) . . ?
C18 C17 C14 134.48(19) . . ?
C18 C17 C16 119.03(17) . . ?
C17 C18 H18 121.0 . . ?
C19 C18 C17 117.9(2) . . ?
C19 C18 H18 121.0 . . ?
C18 C19 H19 119.1 . . ?
C18 C19 C20 121.75(19) . . ?
C20 C19 H19 119.1 . . ?
C19 C20 H20 118.6 . . ?
C21 C20 C19 122.73(19) . . ?
C21 C20 H20 118.6 . . ?
C16 C21 C22 121.9(2) . . ?
C20 C21 C16 114.8(2) . . ?
C20 C21 C22 123.32(19) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
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
N1 C6 1.435(3) . ?
N1 C7 1.276(3) . ?
N2 C7 1.398(2) . ?
N2 C10 1.368(3) . ?
N2 C12 1.390(3) . ?
N3 C10 1.309(2) . ?
N3 C11 1.393(3) . ?
N4 N5 1.224(2) . ?
N4 C8 1.495(2) . ?
N5 N6 1.133(3) . ?
N7 H7 0.902(17) . ?
N7 C15 1.377(3) . ?
N7 C16 1.386(3) . ?
C1 C2 1.400(4) . ?
C1 C6 1.387(3) . ?
C1 C9 1.493(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.380(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.399(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.382(3) . ?
C5 C6 1.389(3) . ?
C5 C8 1.516(3) . ?
C7 C8 1.546(3) . ?
C8 C14 1.500(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 0.9500 . ?
C11 C12 1.347(3) . ?
C11 C13 1.486(3) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.360(3) . ?
C14 C17 1.439(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.405(3) . ?
C16 C21 1.407(3) . ?
C17 C18 1.403(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.377(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.395(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.384(3) . ?
C21 C22 1.491(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
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
N1 C7 C8 N4 -119.58(18) . . . . ?
N1 C7 C8 C5 -0.1(2) . . . . ?
N1 C7 C8 C14 121.44(19) . . . . ?
N2 C7 C8 N4 58.6(2) . . . . ?
N2 C7 C8 C5 178.16(16) . . . . ?
N2 C7 C8 C14 -60.3(2) . . . . ?
N3 C11 C12 N2 0.3(2) . . . . ?
N4 C8 C14 C15 13.6(3) . . . . ?
N4 C8 C14 C17 -166.61(17) . . . . ?
N5 N4 C8 C5 -13.1(3) . . . . ?
N5 N4 C8 C7 94.8(2) . . . . ?
N5 N4 C8 C14 -141.9(2) . . . . ?
N7 C16 C17 C14 0.4(2) . . . . ?
N7 C16 C17 C18 178.73(16) . . . . ?
N7 C16 C21 C20 -178.08(18) . . . . ?
N7 C16 C21 C22 1.3(3) . . . . ?
C1 C2 C3 C4 -1.1(4) . . . . ?
C2 C1 C6 N1 -179.84(18) . . . . ?
C2 C1 C6 C5 1.4(3) . . . . ?
C2 C3 C4 C5 1.2(3) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C3 C4 C5 C8 -178.5(2) . . . . ?
C4 C5 C6 N1 179.78(17) . . . . ?
C4 C5 C6 C1 -1.3(3) . . . . ?
C4 C5 C8 N4 -66.2(3) . . . . ?
C4 C5 C8 C7 179.5(2) . . . . ?
C4 C5 C8 C14 58.5(3) . . . . ?
C5 C8 C14 C15 -115.2(2) . . . . ?
C5 C8 C14 C17 64.5(3) . . . . ?
C6 N1 C7 N2 -178.99(16) . . . . ?
C6 N1 C7 C8 -0.8(2) . . . . ?
C6 C1 C2 C3 -0.2(3) . . . . ?
C6 C5 C8 N4 115.17(19) . . . . ?
C6 C5 C8 C7 0.90(19) . . . . ?
C6 C5 C8 C14 -120.08(19) . . . . ?
C7 N1 C6 C1 -177.46(19) . . . . ?
C7 N1 C6 C5 1.4(2) . . . . ?
C7 N2 C10 N3 -177.55(17) . . . . ?
C7 N2 C12 C11 177.62(16) . . . . ?
C7 C8 C14 C15 133.3(2) . . . . ?
C7 C8 C14 C17 -46.9(2) . . . . ?
C8 C5 C6 N1 -1.5(2) . . . . ?
C8 C5 C6 C1 177.43(17) . . . . ?
C8 C14 C15 N7 179.05(18) . . . . ?
C8 C14 C17 C16 -179.57(17) . . . . ?
C8 C14 C17 C18 2.4(3) . . . . ?
C9 C1 C2 C3 -179.7(2) . . . . ?
C9 C1 C6 N1 -0.4(3) . . . . ?
C9 C1 C6 C5 -179.15(19) . . . . ?
C10 N2 C7 N1 -176.38(18) . . . . ?
C10 N2 C7 C8 5.5(3) . . . . ?
C10 N2 C12 C11 -0.4(2) . . . . ?
C10 N3 C11 C12 -0.1(2) . . . . ?
C10 N3 C11 C13 177.84(19) . . . . ?
C11 N3 C10 N2 -0.2(2) . . . . ?
C12 N2 C7 N1 6.0(3) . . . . ?
C12 N2 C7 C8 -172.12(16) . . . . ?
C12 N2 C10 N3 0.4(2) . . . . ?
C13 C11 C12 N2 -177.4(2) . . . . ?
C14 C17 C18 C19 177.61(19) . . . . ?
C15 N7 C16 C17 -0.8(2) . . . . ?
C15 N7 C16 C21 178.67(19) . . . . ?
C15 C14 C17 C16 0.2(2) . . . . ?
C15 C14 C17 C18 -177.8(2) . . . . ?
C16 N7 C15 C14 1.0(2) . . . . ?
C16 C17 C18 C19 -0.2(3) . . . . ?
C17 C14 C15 N7 -0.7(2) . . . . ?
C17 C16 C21 C20 1.3(3) . . . . ?
C17 C16 C21 C22 -179.30(18) . . . . ?
C17 C18 C19 C20 0.5(3) . . . . ?
C18 C19 C20 C21 0.1(3) . . . . ?
C19 C20 C21 C16 -1.0(3) . . . . ?
C19 C20 C21 C22 179.7(2) . . . . ?
C21 C16 C17 C14 -179.14(17) . . . . ?
C21 C16 C17 C18 -0.8(3) . . . . ?
