#------------------------------------------------------------------------------
#$Date: 2021-10-06 19:13:01 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269770 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/82/7158254.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_7158254
loop_
_publ_author_name
'Yang, Kai'
'Luo, Shi-He'
'Chen, Si-Hong'
'Cao, Xi-Ying'
'Zhou, Yong-Jun'
'Lin, Yan-Lan'
'Huo, Yan-Ping'
'Wang, Zhao-Yang'
_publ_section_title
;
 Simple inorganic base promoted C-N and C-C formation: synthesis of
 benzo[4,5]imidazo[1,2-a]pyridines as functional AIEgens used for
 detecting picric acid.
;
_journal_issue                   37
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              8133
_journal_page_last               8139
_journal_paper_doi               10.1039/d1ob01424b
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C23 H15 N3 O2'
_chemical_formula_sum            'C23 H15 N3 O2'
_chemical_formula_weight         365.38
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-01-07
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_audit_update_record
;
2021-03-26 deposited with the CCDC.	2021-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                107.613(10)
_cell_angle_beta                 91.055(9)
_cell_angle_gamma                117.427(11)
_cell_formula_units_Z            2
_cell_length_a                   9.9767(11)
_cell_length_b                   10.2000(11)
_cell_length_c                   10.3359(12)
_cell_measurement_reflns_used    1322
_cell_measurement_temperature    297
_cell_measurement_theta_max      22.9760
_cell_measurement_theta_min      4.0900
_cell_volume                     874.2(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      297
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0606
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     27.00  73.00   1.00    5.00    --   15.49  57.00 -60.00   46
  2  ω      0.00  58.00   1.00    5.00    --   15.49  57.00 -90.00   58
  3  ω    -13.00  85.00   1.00    5.00    --   15.49  19.00-150.00   98
  4  ω    -25.00   0.00   1.00    5.00    --  -16.28 -99.00  30.00   25
  5  ω    -25.00   0.00   1.00    5.00    --  -16.28 -99.00 120.00   25
  6  ω    -12.00  21.00   1.00    5.00    --  -16.28 -99.00 150.00   33
  7  ω    -30.00  47.00   1.00    5.00    --  -16.28  77.00  30.00   77
  8  ω     59.00  85.00   1.00    5.00    --   15.49 178.00  90.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0299963000
_diffrn_orient_matrix_UB_12      0.0232987000
_diffrn_orient_matrix_UB_13      -0.0462106000
_diffrn_orient_matrix_UB_21      0.0747763000
_diffrn_orient_matrix_UB_22      0.0425927000
_diffrn_orient_matrix_UB_23      -0.0128824000
_diffrn_orient_matrix_UB_31      -0.0124834000
_diffrn_orient_matrix_UB_32      -0.0681236000
_diffrn_orient_matrix_UB_33      -0.0554033000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0719
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6378
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.428
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_description       block
_exptl_crystal_F_000             380
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.176
_refine_diff_density_rms         0.036
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3076
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1216
_refine_ls_R_factor_gt           0.0626
_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)+(0.0563P)²+0.0449P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1243
_refine_ls_wR_factor_ref         0.1541
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1761
_reflns_number_total             3076
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob01424b2.cif
_cod_data_source_block           exp_8358
_cod_depositor_comments
'Adding full bibliography for 7158252--7158256.cif.'
_cod_original_cell_volume        874.20(19)
_cod_database_code               7158254
_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.
;
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14),
 C16(H16), C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.483
_oxdiff_exptl_absorpt_empirical_full_min 0.872
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
O1 O -0.0563(4) 0.8395(4) -0.2263(3) 0.1185(12) Uani 1 1 d . . . . .
O2 O -0.2281(4) 0.5987(4) -0.2675(3) 0.1145(11) Uani 1 1 d . . . . .
N1 N 0.3684(3) 0.7651(2) 0.44609(19) 0.0440(6) Uani 1 1 d . . . . .
N2 N 0.4087(3) 0.8093(3) 0.2440(2) 0.0481(6) Uani 1 1 d . . . . .
N3 N -0.1176(4) 0.7221(5) -0.1947(3) 0.0780(9) Uani 1 1 d . . . . .
C1 C 0.3076(4) 0.7715(3) 0.3252(3) 0.0453(8) Uani 1 1 d . . . . .
C2 C 0.1504(4) 0.7348(3) 0.3046(3) 0.0501(8) Uani 1 1 d . . . . .
C3 C 0.0692(4) 0.6986(4) 0.4040(3) 0.0647(9) Uani 1 1 d . . . . .
H3 H -0.032373 0.677231 0.393676 0.078 Uiso 1 1 calc R U . . .
C4 C 0.1345(4) 0.6923(4) 0.5229(3) 0.0672(10) Uani 1 1 d . . . . .
H4 H 0.074917 0.667813 0.589024 0.081 Uiso 1 1 calc R U . . .
C5 C 0.2807(4) 0.7208(3) 0.5432(3) 0.0503(8) Uani 1 1 d . . . . .
C6 C 0.5219(3) 0.8040(3) 0.4377(2) 0.0438(7) Uani 1 1 d . . . . .
C7 C 0.6428(4) 0.8219(3) 0.5238(3) 0.0538(8) Uani 1 1 d . . . . .
H7 H 0.630856 0.808680 0.608806 0.065 Uiso 1 1 calc R U . . .
C8 C 0.7783(4) 0.8593(4) 0.4800(3) 0.0608(9) Uani 1 1 d . . . . .
H8 H 0.859889 0.870249 0.535566 0.073 Uiso 1 1 calc R U . . .
C9 C 0.7990(4) 0.8820(3) 0.3533(3) 0.0625(9) Uani 1 1 d . . . . .
H9 H 0.893883 0.907846 0.326611 0.075 Uiso 1 1 calc R U . . .
C10 C 0.6821(4) 0.8667(3) 0.2682(3) 0.0560(8) Uani 1 1 d . . . . .
H10 H 0.695960 0.880455 0.183540 0.067 Uiso 1 1 calc R U . . .
C11 C 0.5411(3) 0.8297(3) 0.3116(3) 0.0443(7) Uani 1 1 d . . . . .
C12 C 0.0814(4) 0.7358(4) 0.1771(3) 0.0480(8) Uani 1 1 d . . . . .
C13 C 0.1589(4) 0.8542(4) 0.1235(3) 0.0618(9) Uani 1 1 d . . . . .
H13 H 0.257221 0.935278 0.168214 0.074 Uiso 1 1 calc R U . . .
C14 C 0.0922(4) 0.8536(4) 0.0046(3) 0.0651(9) Uani 1 1 d . . . . .
H14 H 0.142747 0.935755 -0.028569 0.078 Uiso 1 1 calc R U . . .
C15 C -0.0503(4) 0.7288(4) -0.0636(3) 0.0588(9) Uani 1 1 d . . . . .
C16 C -0.1315(4) 0.6091(4) -0.0140(3) 0.0652(9) Uani 1 1 d . . . . .
H16 H -0.228750 0.527006 -0.060722 0.078 Uiso 1 1 calc R U . . .
C17 C -0.0650(4) 0.6138(4) 0.1069(3) 0.0615(9) Uani 1 1 d . . . . .
H17 H -0.118703 0.534235 0.142199 0.074 Uiso 1 1 calc R U . . .
C18 C 0.3474(4) 0.7001(3) 0.6597(3) 0.0512(8) Uani 1 1 d . . . . .
C19 C 0.3749(4) 0.5734(4) 0.6366(3) 0.0584(9) Uani 1 1 d . . . . .
H19 H 0.354904 0.503897 0.547045 0.070 Uiso 1 1 calc R U . . .
C20 C 0.4310(4) 0.5510(4) 0.7446(3) 0.0627(9) Uani 1 1 d . . . . .
H20 H 0.449391 0.466429 0.728011 0.075 Uiso 1 1 calc R U . . .
C21 C 0.4605(4) 0.6521(4) 0.8779(3) 0.0649(9) Uani 1 1 d . . . . .
H21 H 0.499603 0.636679 0.950900 0.078 Uiso 1 1 calc R U . . .
C22 C 0.4320(4) 0.7754(4) 0.9021(3) 0.0730(11) Uani 1 1 d . . . . .
H22 H 0.450701 0.843322 0.992135 0.088 Uiso 1 1 calc R U . . .
C23 C 0.3754(4) 0.7997(4) 0.7936(3) 0.0675(10) Uani 1 1 d . . . . .
H23 H 0.356123 0.883780 0.811107 0.081 Uiso 1 1 calc R U . . .
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'
O O 0.0106 0.0060 '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
C5 N1 C1 122.6(2) . . ?
C5 N1 C6 131.4(2) . . ?
C6 N1 C1 105.9(2) . . ?
C1 N2 C11 105.1(2) . . ?
O1 N3 O2 123.6(3) . . ?
O1 N3 C15 117.8(3) . . ?
O2 N3 C15 118.5(4) . . ?
N1 C1 C2 118.5(3) . . ?
N2 C1 N1 112.6(3) . . ?
N2 C1 C2 128.9(2) . . ?
C1 C2 C12 120.0(3) . . ?
C3 C2 C1 117.7(3) . . ?
C3 C2 C12 122.3(3) . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.9(3) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 119.1 . . ?
C5 C4 C3 121.9(3) . . ?
C5 C4 H4 119.1 . . ?
N1 C5 C18 119.6(3) . . ?
C4 C5 N1 117.4(2) . . ?
C4 C5 C18 123.0(3) . . ?
N1 C6 C11 104.4(2) . . ?
C7 C6 N1 134.4(3) . . ?
C7 C6 C11 121.2(3) . . ?
C6 C7 H7 121.0 . . ?
C8 C7 C6 117.9(3) . . ?
C8 C7 H7 121.0 . . ?
C7 C8 H8 119.1 . . ?
C7 C8 C9 121.8(3) . . ?
C9 C8 H8 119.1 . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.1(3) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 120.8 . . ?
C9 C10 C11 118.3(3) . . ?
C11 C10 H10 120.8 . . ?
N2 C11 C6 111.9(3) . . ?
N2 C11 C10 128.5(3) . . ?
C10 C11 C6 119.6(3) . . ?
C13 C12 C2 121.9(3) . . ?
C13 C12 C17 118.5(3) . . ?
C17 C12 C2 119.7(3) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.1(3) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.6(3) . . ?
C15 C14 H14 120.7 . . ?
C14 C15 N3 118.9(3) . . ?
C14 C15 C16 122.3(3) . . ?
C16 C15 N3 118.8(3) . . ?
C15 C16 H16 120.8 . . ?
C15 C16 C17 118.3(3) . . ?
C17 C16 H16 120.8 . . ?
C12 C17 H17 119.4 . . ?
C16 C17 C12 121.2(3) . . ?
C16 C17 H17 119.4 . . ?
C19 C18 C5 120.3(2) . . ?
C23 C18 C5 120.9(3) . . ?
C23 C18 C19 118.6(3) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.3(3) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.7(3) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.5(3) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
C18 C23 C22 120.4(3) . . ?
C18 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
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 N3 1.218(4) . ?
O2 N3 1.218(4) . ?
N1 C1 1.410(3) . ?
N1 C5 1.385(3) . ?
N1 C6 1.406(3) . ?
N2 C1 1.319(3) . ?
N2 C11 1.379(3) . ?
N3 C15 1.469(4) . ?
C1 C2 1.429(4) . ?
C2 C3 1.354(4) . ?
C2 C12 1.480(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.412(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.348(4) . ?
C5 C18 1.481(4) . ?
C6 C7 1.393(4) . ?
C6 C11 1.406(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.352(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.400(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.368(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.400(4) . ?
C12 C13 1.387(4) . ?
C12 C17 1.395(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.384(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.375(4) . ?
C15 C16 1.376(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.381(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.394(4) . ?
C18 C23 1.378(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.365(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.376(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.366(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(4) . ?
C23 H23 0.9300 . ?
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
O1 N3 C15 C14 -11.8(5) . . . . ?
O1 N3 C15 C16 168.9(3) . . . . ?
O2 N3 C15 C14 166.0(3) . . . . ?
O2 N3 C15 C16 -13.3(5) . . . . ?
N1 C1 C2 C3 1.1(4) . . . . ?
N1 C1 C2 C12 -178.3(2) . . . . ?
N1 C5 C18 C19 -70.3(4) . . . . ?
N1 C5 C18 C23 113.5(3) . . . . ?
N1 C6 C7 C8 179.2(3) . . . . ?
N1 C6 C11 N2 0.3(3) . . . . ?
N1 C6 C11 C10 -178.1(2) . . . . ?
N2 C1 C2 C3 179.7(3) . . . . ?
N2 C1 C2 C12 0.3(5) . . . . ?
N3 C15 C16 C17 177.8(3) . . . . ?
C1 N1 C5 C4 -4.0(4) . . . . ?
C1 N1 C5 C18 173.4(2) . . . . ?
C1 N1 C6 C7 178.2(3) . . . . ?
C1 N1 C6 C11 -0.4(3) . . . . ?
C1 N2 C11 C6 0.0(3) . . . . ?
C1 N2 C11 C10 178.1(3) . . . . ?
C1 C2 C3 C4 -1.8(5) . . . . ?
C1 C2 C12 C13 -43.3(4) . . . . ?
C1 C2 C12 C17 135.8(3) . . . . ?
C2 C3 C4 C5 -0.5(5) . . . . ?
C2 C12 C13 C14 -179.7(3) . . . . ?
C2 C12 C17 C16 -178.5(3) . . . . ?
C3 C2 C12 C13 137.3(3) . . . . ?
C3 C2 C12 C17 -43.6(4) . . . . ?
C3 C4 C5 N1 3.4(5) . . . . ?
C3 C4 C5 C18 -173.9(3) . . . . ?
C4 C5 C18 C19 107.0(4) . . . . ?
C4 C5 C18 C23 -69.3(4) . . . . ?
C5 N1 C1 N2 -177.0(2) . . . . ?
C5 N1 C1 C2 1.8(4) . . . . ?
C5 N1 C6 C7 -4.7(5) . . . . ?
C5 N1 C6 C11 176.7(3) . . . . ?
C5 C18 C19 C20 -177.5(3) . . . . ?
C5 C18 C23 C22 177.4(3) . . . . ?
C6 N1 C1 N2 0.4(3) . . . . ?
C6 N1 C1 C2 179.2(2) . . . . ?
C6 N1 C5 C4 179.3(3) . . . . ?
C6 N1 C5 C18 -3.3(4) . . . . ?
C6 C7 C8 C9 0.9(4) . . . . ?
C7 C6 C11 N2 -178.5(2) . . . . ?
C7 C6 C11 C10 3.1(4) . . . . ?
C7 C8 C9 C10 -0.2(5) . . . . ?
C8 C9 C10 C11 0.8(4) . . . . ?
C9 C10 C11 N2 179.7(3) . . . . ?
C9 C10 C11 C6 -2.3(4) . . . . ?
C11 N2 C1 N1 -0.2(3) . . . . ?
C11 N2 C1 C2 -178.9(3) . . . . ?
C11 C6 C7 C8 -2.4(4) . . . . ?
C12 C2 C3 C4 177.6(3) . . . . ?
C12 C13 C14 C15 -3.0(5) . . . . ?
C13 C12 C17 C16 0.6(5) . . . . ?
C13 C14 C15 N3 -176.1(3) . . . . ?
C13 C14 C15 C16 3.2(5) . . . . ?
C14 C15 C16 C17 -1.4(5) . . . . ?
C15 C16 C17 C12 -0.5(5) . . . . ?
C17 C12 C13 C14 1.1(4) . . . . ?
C18 C19 C20 C21 0.3(5) . . . . ?
C19 C18 C23 C22 1.1(5) . . . . ?
C19 C20 C21 C22 0.6(5) . . . . ?
C20 C21 C22 C23 -0.7(6) . . . . ?
C21 C22 C23 C18 -0.1(5) . . . . ?
C23 C18 C19 C20 -1.2(5) . . . . ?
