#------------------------------------------------------------------------------
#$Date: 2022-10-21 10:47:38 +0300 (Fri, 21 Oct 2022) $
#$Revision: 278692 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/59/8105925.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_8105925
loop_
_publ_author_name
'Zeng, Dai'
'Xing, Ai-Ping'
_publ_section_title
;
 Crystal structure of
 (Z)-6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)-2-(2-(quinoxalin-2-ylmethylene)hydrazinyl)-2,3-dihydroinden-1-one,
 C35H35N7O
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1023
_journal_page_last               1025
_journal_paper_doi               10.1515/ncrs-2019-0238
_journal_volume                  234
_journal_year                    2019
_chemical_formula_moiety         'C35 H35 N7 O'
_chemical_formula_sum            'C35 H35 N7 O'
_chemical_formula_weight         569.70
_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
_cell_angle_alpha                109.210(3)
_cell_angle_beta                 96.833(3)
_cell_angle_gamma                107.594(3)
_cell_formula_units_Z            2
_cell_length_a                   10.2870(3)
_cell_length_b                   11.9918(4)
_cell_length_c                   13.8995(5)
_cell_measurement_reflns_used    5313
_cell_measurement_temperature    110(1)
_cell_measurement_theta_max      71.2700
_cell_measurement_theta_min      4.6260
_cell_volume                     1497.29(10)
_computing_cell_refinement       'CrysAlisPro [1] 2018)'
_computing_data_collection       'CrysAlisPro [1] 2018)'
_computing_data_reduction        'CrysAlisPro [1] 2018)'
_computing_molecular_graphics    'Olex2 [2]'
_computing_publication_material  'Olex2 [2]'
_computing_structure_refinement  'ShelXL-2015 [3]'
_computing_structure_solution    'ShelXT-2015 [4]'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2137
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω   -113.00 -24.00   1.00    1.00    --  -40.81 -57.00  30.00   89
  2  ω    -90.00 -51.00   1.00    1.00    --  -40.81 -38.00-180.00   39
  3  ω    -90.00  -2.00   1.00    1.00    --  -40.81 125.00-120.00   88
  4  ω    -63.00  33.00   1.00    1.00    --  -40.81  38.00-180.00   96
  5  ω     34.00  59.00   1.00    1.00    --   40.81 -99.00-180.00   25
  6  ω     35.00 128.00   1.00    3.00    --  100.91 -61.00 -60.00   93
  7  ω     40.00 117.00   1.00    3.00    --  100.91-125.00 -90.00   77
  8  ω    114.00 167.00   1.00    3.00    --  100.91 125.00  60.00   53
  9  ω     91.00 117.00   1.00    3.00    --  100.91-125.00  30.00   26
 10  ω     72.00 130.00   1.00    3.00    --  100.91  61.00 -90.00   58
 11  ω     30.00  79.00   1.00    3.00    --  100.91 -30.00 120.00   49
 12  ω     56.00 117.00   1.00    3.00    --  100.91 -30.00  30.00   61
 13  ω     95.00 130.00   1.00    3.00    --  100.91 125.00-150.00   35
 14  ω     91.00 116.00   1.00    3.00    --  100.91-125.00 120.00   25
 15  ω    116.00 163.00   1.00    3.00    --  100.91  45.00 120.00   47
 16  ω     78.00 173.00   1.00    3.00    --  100.91  30.00  30.00   95
 17  ω     27.00 132.00   1.00    3.00    --  100.91 -77.00  60.00  105
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0549071000
_diffrn_orient_matrix_UB_12      -0.0991557000
_diffrn_orient_matrix_UB_13      -0.1136311000
_diffrn_orient_matrix_UB_21      0.0290187000
_diffrn_orient_matrix_UB_22      0.1072591000
_diffrn_orient_matrix_UB_23      -0.0414996000
_diffrn_orient_matrix_UB_31      0.1495653000
_diffrn_orient_matrix_UB_32      0.0003795000
_diffrn_orient_matrix_UB_33      -0.0018752000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10105
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.546
_diffrn_reflns_theta_min         3.471
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_description       cube
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.245
_refine_diff_density_min         -0.208
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         5642
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0401
_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+0.3971P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1091
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4888
_reflns_number_total             5642
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0238_suppl.cif
_cod_data_source_block           1
_cod_original_cell_volume        1497.32(9)
_cod_database_code               8105925
_chemical_oxdiff_formula         'C H N O Cl Fe '
_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 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     64.99
_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:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C9(H9), C12(H12), C16(H16), C17(H17),
 C21(H21), C22(H22), C26(H26), C27(H27), C29(H29), C30(H30), C34(H34), C35(H35)
2.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C)
;
_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 1.387
_oxdiff_exptl_absorpt_empirical_full_min 0.788
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 0.22840(11) 0.82009(10) 0.23278(9) 0.0348(2) Uani 1 1 d . . . . .
N1 N 0.27066(11) 0.70328(11) 0.32885(9) 0.0242(2) Uani 1 1 d . . . . .
N2 N 0.37850(11) 0.67001(11) 0.29611(9) 0.0247(2) Uani 1 1 d . . . . .
N3 N 0.58578(12) 0.68684(11) 0.11347(9) 0.0266(2) Uani 1 1 d . . . . .
N4 N 0.67121(13) 0.52223(12) 0.19103(10) 0.0323(3) Uani 1 1 d . . . . .
N5 N -0.20647(13) 0.87367(13) 0.40611(11) 0.0355(3) Uani 1 1 d . . . . .
N6 N 0.53696(13) 0.86631(12) 0.82556(10) 0.0320(3) Uani 1 1 d . . . . .
N7 N 0.00432(14) 0.10147(12) 0.19314(11) 0.0382(3) Uani 1 1 d . . . . .
C1 C 0.67407(14) 0.63007(13) 0.07083(11) 0.0269(3) Uani 1 1 d . . . . .
C2 C 0.72297(15) 0.65301(15) -0.01439(11) 0.0326(3) Uani 1 1 d . . . . .
H2 H 0.7009 0.7111 -0.0374 0.039 Uiso 1 1 calc R . . . .
C3 C 0.80254(16) 0.58999(16) -0.06298(12) 0.0374(4) Uani 1 1 d . . . . .
H3 H 0.8349 0.6061 -0.1185 0.045 Uiso 1 1 calc R . . . .
C4 C 0.83592(16) 0.50102(17) -0.02972(12) 0.0392(4) Uani 1 1 d . . . . .
H4 H 0.8866 0.4560 -0.0655 0.047 Uiso 1 1 calc R . . . .
C5 C 0.79443(16) 0.48007(16) 0.05493(12) 0.0369(3) Uani 1 1 d . . . . .
H5 H 0.8198 0.4234 0.0781 0.044 Uiso 1 1 calc R . . . .
C6 C 0.71321(14) 0.54465(14) 0.10677(11) 0.0292(3) Uani 1 1 d . . . . .
C7 C 0.58788(14) 0.57816(14) 0.23093(11) 0.0289(3) Uani 1 1 d . . . . .
H7 H 0.5576 0.5651 0.2881 0.035 Uiso 1 1 calc R . . . .
C8 C 0.54125(13) 0.65818(13) 0.19083(10) 0.0255(3) Uani 1 1 d . . . . .
C9 C 0.43582(14) 0.70846(13) 0.22975(11) 0.0273(3) Uani 1 1 d . . . . .
H9 H 0.4113 0.7660 0.2073 0.033 Uiso 1 1 calc R . . . .
C10 C 0.19875(14) 0.76926(13) 0.29446(11) 0.0255(3) Uani 1 1 d . . . . .
C11 C 0.08425(13) 0.76643(13) 0.34900(10) 0.0250(3) Uani 1 1 d . . . . .
C12 C -0.01085(14) 0.82655(13) 0.34499(11) 0.0268(3) Uani 1 1 d . . . . .
H12 H -0.0101 0.8719 0.3021 0.032 Uiso 1 1 calc R . . . .
C13 C -0.20005(16) 0.95518(15) 0.34822(13) 0.0352(3) Uani 1 1 d . . . . .
H13A H -0.1112 1.0246 0.3756 0.053 Uiso 1 1 calc GR . . . .
H13B H -0.2747 0.9875 0.3553 0.053 Uiso 1 1 calc GR . . . .
H13C H -0.2100 0.9075 0.2754 0.053 Uiso 1 1 calc GR . . . .
C14 C -0.29188(16) 0.87889(16) 0.48167(13) 0.0372(3) Uani 1 1 d . . . . .
H14A H -0.3480 0.7943 0.4724 0.056 Uiso 1 1 calc GR . . . .
H14B H -0.3522 0.9235 0.4713 0.056 Uiso 1 1 calc GR . . . .
H14C H -0.2321 0.9224 0.5514 0.056 Uiso 1 1 calc GR . . . .
C15 C -0.10837(14) 0.81726(13) 0.40733(11) 0.0276(3) Uani 1 1 d . . . . .
C16 C -0.10262(14) 0.74783(13) 0.47194(11) 0.0280(3) Uani 1 1 d . . . . .
H16 H -0.1662 0.7413 0.5140 0.034 Uiso 1 1 calc R . . . .
C17 C -0.00563(14) 0.68949(13) 0.47455(11) 0.0264(3) Uani 1 1 d . . . . .
H17 H -0.0035 0.6454 0.5183 0.032 Uiso 1 1 calc R . . . .
C18 C 0.08834(13) 0.69764(12) 0.41102(10) 0.0238(3) Uani 1 1 d . . . . .
C19 C 0.20516(13) 0.64510(13) 0.40007(10) 0.0235(3) Uani 1 1 d . . . . .
C20 C 0.30630(13) 0.69771(13) 0.50769(10) 0.0239(3) Uani 1 1 d . . . . .
C21 C 0.40090(13) 0.82279(13) 0.55140(11) 0.0263(3) Uani 1 1 d . . . . .
H21 H 0.4126 0.8704 0.5099 0.032 Uiso 1 1 calc R . . . .
C22 C 0.47788(14) 0.87824(13) 0.65459(11) 0.0277(3) Uani 1 1 d . . . . .
H22 H 0.5410 0.9616 0.6808 0.033 Uiso 1 1 calc R . . . .
C23 C 0.58259(17) 1.00355(15) 0.87566(12) 0.0363(3) Uani 1 1 d . . . . .
H23A H 0.6495 1.0420 0.8425 0.054 Uiso 1 1 calc GR . . . .
H23B H 0.6255 1.0306 0.9487 0.054 Uiso 1 1 calc GR . . . .
H23C H 0.5029 1.0287 0.8688 0.054 Uiso 1 1 calc GR . . . .
C24 C 0.48921(19) 0.80011(16) 0.89284(12) 0.0423(4) Uani 1 1 d . . . . .
H24A H 0.3948 0.7945 0.8956 0.063 Uiso 1 1 calc GR . . . .
H24B H 0.5497 0.8457 0.9623 0.063 Uiso 1 1 calc GR . . . .
H24C H 0.4916 0.7163 0.8651 0.063 Uiso 1 1 calc GR . . . .
C25 C 0.46203(13) 0.81024(13) 0.72042(11) 0.0267(3) Uani 1 1 d . . . . .
C26 C 0.36864(14) 0.68379(14) 0.67624(11) 0.0282(3) Uani 1 1 d . . . . .
H26 H 0.3572 0.6354 0.7172 0.034 Uiso 1 1 calc R . . . .
C27 C 0.29310(14) 0.62986(13) 0.57232(11) 0.0270(3) Uani 1 1 d . . . . .
H27 H 0.2318 0.5458 0.5451 0.032 Uiso 1 1 calc R . . . .
C28 C 0.15119(13) 0.50068(13) 0.34596(10) 0.0237(3) Uani 1 1 d . . . . .
C29 C 0.24251(14) 0.43469(13) 0.34320(10) 0.0259(3) Uani 1 1 d . . . . .
H29 H 0.3371 0.4795 0.3769 0.031 Uiso 1 1 calc R . . . .
C30 C 0.19612(14) 0.30417(14) 0.29157(11) 0.0280(3) Uani 1 1 d . . . . .
H30 H 0.2600 0.2633 0.2904 0.034 Uiso 1 1 calc R . . . .
C31 C 0.05320(15) 0.23255(13) 0.24071(11) 0.0286(3) Uani 1 1 d . . . . .
C32 C 0.10360(18) 0.03867(15) 0.17626(14) 0.0418(4) Uani 1 1 d . . . . .
H32A H 0.1622 0.0702 0.1350 0.063 Uiso 1 1 calc GR . . . .
H32B H 0.0539 -0.0510 0.1397 0.063 Uiso 1 1 calc GR . . . .
H32C H 0.1609 0.0549 0.2427 0.063 Uiso 1 1 calc GR . . . .
C33 C -0.13631(19) 0.03578(16) 0.12639(15) 0.0469(4) Uani 1 1 d . . . . .
H33A H -0.2027 0.0528 0.1667 0.070 Uiso 1 1 calc GR . . . .
H33B H -0.1556 -0.0538 0.0981 0.070 Uiso 1 1 calc GR . . . .
H33C H -0.1441 0.0646 0.0700 0.070 Uiso 1 1 calc GR . . . .
C34 C -0.03738(14) 0.29960(14) 0.24259(11) 0.0287(3) Uani 1 1 d . . . . .
H34 H -0.1320 0.2555 0.2087 0.034 Uiso 1 1 calc R . . . .
C35 C 0.01083(14) 0.43017(13) 0.29380(10) 0.0261(3) Uani 1 1 d . . . . .
H35 H -0.0522 0.4717 0.2933 0.031 Uiso 1 1 calc R . . . .
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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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_
_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
N2 N1 C10 129.14(11) . .
N2 N1 C19 116.33(10) . .
C10 N1 C19 113.85(10) . .
C9 N2 N1 121.11(12) . .
C8 N3 C1 115.99(12) . .
C7 N4 C6 116.31(13) . .
C14 N5 C13 118.44(12) . .
C15 N5 C13 119.49(12) . .
C15 N5 C14 120.22(13) . .
C24 N6 C23 114.18(12) . .
C25 N6 C23 116.79(12) . .
C25 N6 C24 116.75(12) . .
C31 N7 C32 119.35(13) . .
C31 N7 C33 118.40(13) . .
C32 N7 C33 117.86(13) . .
N3 C1 C2 119.38(13) . .
N3 C1 C6 121.70(12) . .
C6 C1 C2 118.87(13) . .
C3 C2 C1 120.20(15) . .
C2 C3 C4 120.58(14) . .
C5 C4 C3 120.57(14) . .
C4 C5 C6 119.80(15) . .
N4 C6 C1 120.77(13) . .
N4 C6 C5 119.35(14) . .
C5 C6 C1 119.87(13) . .
N4 C7 C8 123.02(13) . .
N3 C8 C7 121.99(12) . .
N3 C8 C9 116.25(12) . .
C7 C8 C9 121.70(12) . .
N2 C9 C8 117.53(12) . .
O1 C10 N1 125.81(12) . .
O1 C10 C11 128.45(13) . .
N1 C10 C11 105.73(11) . .
C12 C11 C10 127.16(12) . .
C18 C11 C10 109.27(12) . .
C18 C11 C12 123.51(12) . .
C11 C12 C15 118.39(13) . .
N5 C15 C12 121.24(13) . .
N5 C15 C16 120.85(12) . .
C12 C15 C16 117.91(12) . .
C17 C16 C15 122.23(12) . .
C16 C17 C18 119.13(13) . .
C11 C18 C17 118.81(12) . .
C11 C18 C19 111.33(11) . .
C17 C18 C19 129.82(12) . .
N1 C19 C18 99.59(10) . .
N1 C19 C20 111.06(10) . .
N1 C19 C28 109.48(10) . .
C18 C19 C20 108.66(10) . .
C18 C19 C28 113.28(10) . .
C20 C19 C28 113.88(11) . .
C21 C20 C19 121.05(12) . .
C27 C20 C19 121.18(12) . .
C27 C20 C21 117.04(12) . .
C22 C21 C20 122.00(13) . .
C21 C22 C25 120.82(13) . .
N6 C25 C22 121.30(13) . .
N6 C25 C26 121.38(13) . .
C26 C25 C22 117.32(13) . .
C27 C26 C25 120.85(13) . .
C26 C27 C20 121.94(13) . .
C29 C28 C19 121.06(12) . .
C35 C28 C19 121.61(12) . .
C35 C28 C29 117.27(12) . .
C30 C29 C28 121.81(12) . .
C29 C30 C31 120.82(13) . .
N7 C31 C30 121.37(13) . .
N7 C31 C34 121.60(13) . .
C34 C31 C30 117.02(13) . .
C35 C34 C31 121.45(13) . .
C34 C35 C28 121.61(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C10 1.2219(17) .
N1 N2 1.3658(15) .
N1 C10 1.3856(17) .
N1 C19 1.4998(16) .
N2 C9 1.2869(18) .
N3 C1 1.3697(18) .
N3 C8 1.3226(17) .
N4 C6 1.3741(19) .
N4 C7 1.3069(19) .
N5 C13 1.449(2) .
N5 C14 1.4452(19) .
N5 C15 1.3757(18) .
N6 C23 1.454(2) .
N6 C24 1.452(2) .
N6 C25 1.3978(18) .
N7 C31 1.3856(19) .
N7 C32 1.439(2) .
N7 C33 1.444(2) .
C1 C2 1.416(2) .
C1 C6 1.414(2) .
C2 C3 1.366(2) .
C3 C4 1.407(2) .
C4 C5 1.371(2) .
C5 C6 1.409(2) .
C7 C8 1.424(2) .
C8 C9 1.4672(19) .
C10 C11 1.4726(18) .
C11 C12 1.3855(19) .
C11 C18 1.3804(19) .
C12 C15 1.4044(19) .
C15 C16 1.419(2) .
C16 C17 1.384(2) .
C17 C18 1.3881(18) .
C18 C19 1.5174(18) .
C19 C20 1.5264(18) .
C19 C28 1.5282(18) .
C20 C21 1.3940(19) .
C20 C27 1.3895(19) .
C21 C22 1.382(2) .
C22 C25 1.405(2) .
C25 C26 1.402(2) .
C26 C27 1.387(2) .
C28 C29 1.3958(19) .
C28 C35 1.3910(19) .
C29 C30 1.386(2) .
C30 C31 1.410(2) .
C31 C34 1.400(2) .
C34 C35 1.385(2) .
