#------------------------------------------------------------------------------
#$Date: 2021-10-06 19:13:01 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269770 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/82/7158256.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_7158256
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         'C24 H18 N2'
_chemical_formula_sum            'C24 H18 N2'
_chemical_formula_weight         334.40
_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
;
2021-03-29 deposited with the CCDC.	2021-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                106.688(12)
_cell_angle_beta                 91.551(9)
_cell_angle_gamma                116.591(13)
_cell_formula_units_Z            2
_cell_length_a                   9.9393(11)
_cell_length_b                   10.0786(16)
_cell_length_c                   10.2828(11)
_cell_measurement_reflns_used    1490
_cell_measurement_temperature    297
_cell_measurement_theta_max      25.0950
_cell_measurement_theta_min      3.9550
_cell_volume                     867.6(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 16.1213
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.825
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -4.00  82.00   1.00    2.00    --   15.65  37.00  60.00   86
  2  ω    -17.00  31.00   1.00    2.00    --   15.65 -57.00 -90.00   48
  3  ω    -12.00  23.00   1.00    2.00    --  -16.28 -99.00  30.00   35
  4  ω    -25.00  12.00   1.00    2.00    --   15.65 -99.00 150.00   37
  5  ω    -49.00  21.00   1.00    2.00    --   15.65 -57.00-120.00   70
  6  ω    -69.00 -23.00   1.00    2.00    --  -16.28 127.00 121.00   46
  7  ω     37.00  72.00   1.00    2.00    --   15.65 178.00-120.00   35
;
_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      0.0522723000
_diffrn_orient_matrix_UB_12      -0.0284202000
_diffrn_orient_matrix_UB_13      0.0079737000
_diffrn_orient_matrix_UB_21      0.0058194000
_diffrn_orient_matrix_UB_22      0.0273590000
_diffrn_orient_matrix_UB_23      0.0726920000
_diffrn_orient_matrix_UB_31      -0.0618043000
_diffrn_orient_matrix_UB_32      -0.0736180000
_diffrn_orient_matrix_UB_33      -0.0038786000
_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  0.0229
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.825
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6873
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.825
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.397
_diffrn_reflns_theta_min         3.682
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77812
_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    1.280
_exptl_crystal_description       block
_exptl_crystal_F_000             352
_refine_diff_density_max         0.157
_refine_diff_density_min         -0.150
_refine_diff_density_rms         0.034
_refine_ls_extinction_coef       0.034(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         3953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0544
_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)+(0.0537P)²+0.0654P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1464
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2334
_reflns_number_total             3953
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob01424b2.cif
_cod_data_source_block           exp_8356
_cod_depositor_comments
'Adding full bibliography for 7158252--7158256.cif.'
_cod_database_code               7158256
_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 99.58
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.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), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
2.b Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C)
;
_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 1.487
_oxdiff_exptl_absorpt_empirical_full_min 0.765
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 0.59072(15) 0.19275(18) 0.76743(14) 0.0467(4) Uani 1 1 d . . . . .
N2 N 0.62992(16) 0.23368(17) 0.56301(14) 0.0434(4) Uani 1 1 d . . . . .
C1 C 0.69121(19) 0.2291(2) 0.68502(17) 0.0425(4) Uani 1 1 d . . . . .
C2 C 0.8482(2) 0.2645(2) 0.70744(19) 0.0495(5) Uani 1 1 d . . . . .
C3 C 0.9286(2) 0.3014(3) 0.6073(2) 0.0630(6) Uani 1 1 d . . . . .
H3 H 1.030287 0.322899 0.617942 0.076 Uiso 1 1 calc R U . . .
C4 C 0.8634(2) 0.3084(3) 0.4875(2) 0.0665(6) Uani 1 1 d . . . . .
H4 H 0.923714 0.334882 0.422130 0.080 Uiso 1 1 calc R U . . .
C5 C 0.7166(2) 0.2779(2) 0.46456(18) 0.0507(5) Uani 1 1 d . . . . .
C6 C 0.47611(19) 0.1923(2) 0.56943(17) 0.0437(4) Uani 1 1 d . . . . .
C7 C 0.3548(2) 0.1710(2) 0.48005(19) 0.0543(5) Uani 1 1 d . . . . .
H7 H 0.365889 0.180531 0.393154 0.065 Uiso 1 1 calc R U . . .
C8 C 0.2184(2) 0.1355(2) 0.5252(2) 0.0627(6) Uani 1 1 d . . . . .
H8 H 0.135624 0.121499 0.467944 0.075 Uiso 1 1 calc R U . . .
C9 C 0.2007(2) 0.1200(2) 0.6545(2) 0.0615(6) Uani 1 1 d . . . . .
H9 H 0.107004 0.097904 0.682535 0.074 Uiso 1 1 calc R U . . .
C10 C 0.3175(2) 0.1364(2) 0.7412(2) 0.0542(5) Uani 1 1 d . . . . .
H10 H 0.304117 0.124508 0.827108 0.065 Uiso 1 1 calc R U . . .
C11 C 0.45802(19) 0.1717(2) 0.69781(18) 0.0443(4) Uani 1 1 d . . . . .
C12 C 0.9178(2) 0.2625(2) 0.83491(19) 0.0495(5) Uani 1 1 d . . . . .
C13 C 0.8436(2) 0.1447(3) 0.8910(2) 0.0629(6) Uani 1 1 d . . . . .
H13 H 0.745229 0.064602 0.848740 0.076 Uiso 1 1 calc R U . . .
C14 C 0.9134(2) 0.1444(3) 1.0087(2) 0.0738(7) Uani 1 1 d . . . . .
H14 H 0.861218 0.063126 1.043321 0.089 Uiso 1 1 calc R U . . .
C15 C 1.0579(3) 0.2610(3) 1.0762(2) 0.0677(6) Uani 1 1 d . . . . .
C16 C 1.1319(2) 0.3779(3) 1.0198(2) 0.0701(6) Uani 1 1 d . . . . .
H16 H 1.229989 0.458040 1.062829 0.084 Uiso 1 1 calc R U . . .
C17 C 1.0647(2) 0.3794(3) 0.9019(2) 0.0633(6) Uani 1 1 d . . . . .
H17 H 1.118268 0.459637 0.866481 0.076 Uiso 1 1 calc R U . . .
C18 C 1.1304(3) 0.2627(4) 1.2077(3) 0.1022(10) Uani 1 1 d . . . . .
H18A H 1.210124 0.234627 1.189395 0.153 Uiso 1 1 calc R U . . .
H18B H 1.054355 0.188377 1.242446 0.153 Uiso 1 1 calc R U . . .
H18C H 1.172987 0.366261 1.275105 0.153 Uiso 1 1 calc R U . . .
C19 C 0.6502(2) 0.2999(2) 0.34696(18) 0.0498(5) Uani 1 1 d . . . . .
C20 C 0.6261(3) 0.2030(3) 0.2140(2) 0.0660(6) Uani 1 1 d . . . . .
H20 H 0.646020 0.118425 0.197934 0.079 Uiso 1 1 calc R U . . .
C21 C 0.5730(3) 0.2297(3) 0.1045(2) 0.0725(7) Uani 1 1 d . . . . .
H21 H 0.558071 0.163896 0.014931 0.087 Uiso 1 1 calc R U . . .
C22 C 0.5419(2) 0.3529(3) 0.1270(2) 0.0636(6) Uani 1 1 d . . . . .
H22 H 0.504584 0.369929 0.052849 0.076 Uiso 1 1 calc R U . . .
C23 C 0.5659(2) 0.4512(3) 0.2591(2) 0.0632(6) Uani 1 1 d . . . . .
H23 H 0.545281 0.535219 0.274573 0.076 Uiso 1 1 calc R U . . .
C24 C 0.6205(2) 0.4256(2) 0.3684(2) 0.0605(6) Uani 1 1 d . . . . .
H24 H 0.637632 0.493194 0.457725 0.073 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'
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
C1 N1 C11 104.75(14) . . ?
C1 N2 C6 106.11(13) . . ?
C5 N2 C1 122.87(14) . . ?
C5 N2 C6 130.98(15) . . ?
N1 C1 N2 112.67(14) . . ?
N1 C1 C2 128.22(16) . . ?
N2 C1 C2 119.11(15) . . ?
C1 C2 C12 120.94(15) . . ?
C3 C2 C1 116.78(17) . . ?
C3 C2 C12 122.28(17) . . ?
C2 C3 H3 118.9 . . ?
C2 C3 C4 122.27(18) . . ?
C4 C3 H3 118.9 . . ?
C3 C4 H4 118.9 . . ?
C5 C4 C3 122.27(18) . . ?
C5 C4 H4 118.9 . . ?
N2 C5 C19 120.10(16) . . ?
C4 C5 N2 116.62(17) . . ?
C4 C5 C19 123.15(17) . . ?
C7 C6 N2 134.09(16) . . ?
C7 C6 C11 121.45(17) . . ?
C11 C6 N2 104.46(15) . . ?
C6 C7 H7 121.3 . . ?
C8 C7 C6 117.37(18) . . ?
C8 C7 H7 121.3 . . ?
C7 C8 H8 119.2 . . ?
C7 C8 C9 121.59(19) . . ?
C9 C8 H8 119.2 . . ?
C8 C9 H9 119.3 . . ?
C10 C9 C8 121.48(19) . . ?
C10 C9 H9 119.3 . . ?
C9 C10 H10 120.8 . . ?
C9 C10 C11 118.34(18) . . ?
C11 C10 H10 120.8 . . ?
N1 C11 C6 111.96(15) . . ?
N1 C11 C10 128.34(16) . . ?
C6 C11 C10 119.69(17) . . ?
C13 C12 C2 122.43(17) . . ?
C13 C12 C17 117.29(19) . . ?
C17 C12 C2 120.26(18) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 120.95(19) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 121.9(2) . . ?
C15 C14 H14 119.0 . . ?
C14 C15 C16 117.1(2) . . ?
C14 C15 C18 121.4(2) . . ?
C16 C15 C18 121.6(2) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 C15 121.9(2) . . ?
C17 C16 H16 119.1 . . ?
C12 C17 H17 119.5 . . ?
C16 C17 C12 120.9(2) . . ?
C16 C17 H17 119.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C5 121.00(18) . . ?
C20 C19 C24 118.63(18) . . ?
C24 C19 C5 120.24(17) . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.7(2) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(2) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.8(2) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0(2) . . ?
C24 C23 H23 120.0 . . ?
C19 C24 H24 119.7 . . ?
C23 C24 C19 120.59(19) . . ?
C23 C24 H24 119.7 . . ?
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 C1 1.321(2) . ?
N1 C11 1.381(2) . ?
N2 C1 1.402(2) . ?
N2 C5 1.389(2) . ?
N2 C6 1.402(2) . ?
C1 C2 1.432(3) . ?
C2 C3 1.355(2) . ?
C2 C12 1.475(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.411(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.348(3) . ?
C5 C19 1.479(2) . ?
C6 C7 1.393(2) . ?
C6 C11 1.398(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.370(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.390(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.363(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.399(2) . ?
C12 C13 1.385(3) . ?
C12 C17 1.391(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.379(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.375(3) . ?
C15 C16 1.380(3) . ?
C15 C18 1.508(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.375(3) . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.373(3) . ?
C19 C24 1.385(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.374(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.368(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.372(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.372(3) . ?
C24 H24 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
N1 C1 C2 C3 -178.72(18) . . . . ?
N1 C1 C2 C12 0.4(3) . . . . ?
N2 C1 C2 C3 0.3(3) . . . . ?
N2 C1 C2 C12 179.43(15) . . . . ?
N2 C5 C19 C20 -114.7(2) . . . . ?
N2 C5 C19 C24 69.6(2) . . . . ?
N2 C6 C7 C8 -177.50(19) . . . . ?
N2 C6 C11 N1 -2.1(2) . . . . ?
N2 C6 C11 C10 176.95(17) . . . . ?
C1 N1 C11 C6 1.2(2) . . . . ?
C1 N1 C11 C10 -177.82(19) . . . . ?
C1 N2 C5 C4 3.7(3) . . . . ?
C1 N2 C5 C19 -172.21(16) . . . . ?
C1 N2 C6 C7 -177.65(19) . . . . ?
C1 N2 C6 C11 2.16(18) . . . . ?
C1 C2 C3 C4 1.3(3) . . . . ?
C1 C2 C12 C13 43.5(3) . . . . ?
C1 C2 C12 C17 -138.1(2) . . . . ?
C2 C3 C4 C5 -0.4(4) . . . . ?
C2 C12 C13 C14 178.51(19) . . . . ?
C2 C12 C17 C16 -179.15(19) . . . . ?
C3 C2 C12 C13 -137.4(2) . . . . ?
C3 C2 C12 C17 41.0(3) . . . . ?
C3 C4 C5 N2 -2.1(3) . . . . ?
C3 C4 C5 C19 173.69(19) . . . . ?
C4 C5 C19 C20 69.6(3) . . . . ?
C4 C5 C19 C24 -106.1(2) . . . . ?
C5 N2 C1 N1 176.27(16) . . . . ?
C5 N2 C1 C2 -2.9(3) . . . . ?
C5 N2 C6 C7 4.7(3) . . . . ?
C5 N2 C6 C11 -175.50(17) . . . . ?
C5 C19 C20 C21 -176.10(19) . . . . ?
C5 C19 C24 C23 176.79(17) . . . . ?
C6 N2 C1 N1 -1.63(19) . . . . ?
C6 N2 C1 C2 179.23(16) . . . . ?
C6 N2 C5 C4 -178.94(19) . . . . ?
C6 N2 C5 C19 5.1(3) . . . . ?
C6 C7 C8 C9 -0.5(3) . . . . ?
C7 C6 C11 N1 177.73(16) . . . . ?
C7 C6 C11 C10 -3.2(3) . . . . ?
C7 C8 C9 C10 -1.3(3) . . . . ?
C8 C9 C10 C11 0.8(3) . . . . ?
C9 C10 C11 N1 -179.72(18) . . . . ?
C9 C10 C11 C6 1.4(3) . . . . ?
C11 N1 C1 N2 0.3(2) . . . . ?
C11 N1 C1 C2 179.37(18) . . . . ?
C11 C6 C7 C8 2.7(3) . . . . ?
C12 C2 C3 C4 -177.86(19) . . . . ?
C12 C13 C14 C15 0.8(3) . . . . ?
C13 C12 C17 C16 -0.7(3) . . . . ?
C13 C14 C15 C16 -1.0(3) . . . . ?
C13 C14 C15 C18 177.6(2) . . . . ?
C14 C15 C16 C17 0.4(3) . . . . ?
C15 C16 C17 C12 0.4(3) . . . . ?
C17 C12 C13 C14 0.1(3) . . . . ?
C18 C15 C16 C17 -178.2(2) . . . . ?
C19 C20 C21 C22 -0.6(3) . . . . ?
C20 C19 C24 C23 1.0(3) . . . . ?
C20 C21 C22 C23 0.9(3) . . . . ?
C21 C22 C23 C24 -0.2(3) . . . . ?
C22 C23 C24 C19 -0.7(3) . . . . ?
C24 C19 C20 C21 -0.3(3) . . . . ?
