#------------------------------------------------------------------------------
#$Date: 2023-12-04 10:06:22 +0200 (Mon, 04 Dec 2023) $
#$Revision: 287957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/76/8107696.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_8107696
loop_
_publ_author_name
'Ma, Ying-Hong'
'Zhao, Hong-Yan'
'Tian, Yu'
'Wu, Yi'
'Wang, Lei'
_publ_section_title
;
 Crystal structure of
 (1E,1′E)-4,4′-(9,9-diethyl-9H-fluorene-2,7-diyl)dibenzaldehyde
 dioxime, C31H28N2O2
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1181
_journal_page_last               1183
_journal_paper_doi               10.1515/ncrs-2023-0385
_journal_volume                  238
_journal_year                    2023
_chemical_formula_moiety         'C31 H28 N2 O2'
_chemical_formula_sum            'C31 H28 N2 O2'
_chemical_formula_weight         460.55
_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     iterative
_cell_angle_alpha                93.574(8)
_cell_angle_beta                 98.554(8)
_cell_angle_gamma                99.558(8)
_cell_formula_units_Z            2
_cell_length_a                   9.0809(9)
_cell_length_b                   9.2626(9)
_cell_length_c                   14.8540(15)
_cell_measurement_reflns_used    2579
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4300
_cell_measurement_theta_min      3.8880
_cell_volume                     1213.5(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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0793
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.850
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     -1.00  88.00   1.00    2.44    --   18.80  57.00   0.00   89
  2  ω     18.00  49.00   1.00    2.44    --  -19.03  57.00  60.00   31
  3  ω     -9.00  36.00   1.00    2.44    --   18.80  77.00  90.00   45
  4  ω    -52.00  35.00   1.00    2.44    --   18.80 -37.00  90.00   87
  5  ω     30.00  61.00   1.00    2.44    --   18.80 -99.00-120.00   31
  6  ω    -50.00  35.00   1.00    2.44    --   18.80 -57.00-150.00   85
  7  ω     60.00  94.00   1.00    2.44    --   18.80 178.00-120.00   34
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0246272000
_diffrn_orient_matrix_UB_12      -0.0013203000
_diffrn_orient_matrix_UB_13      0.0431209000
_diffrn_orient_matrix_UB_21      -0.0477675000
_diffrn_orient_matrix_UB_22      0.0509954000
_diffrn_orient_matrix_UB_23      -0.0130099000
_diffrn_orient_matrix_UB_31      -0.0596157000
_diffrn_orient_matrix_UB_32      -0.0589604000
_diffrn_orient_matrix_UB_33      -0.0179399000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.850
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9746
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.850
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.057
_diffrn_reflns_theta_min         3.304
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46651
_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            'clear intense colourless'
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_description       block
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.188
_refine_diff_density_min         -0.216
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5521
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0541
_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)+(0.0506P)²+0.2834P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1424
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3677
_reflns_number_total             5521
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2023-0385_suppl_001.cif
_cod_data_source_block           exp_1916
_cod_database_code               8107696
_chemical_oxdiff_formula         'C1 H1 O1 N1'
_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   0.977
_shelx_estimated_absorpt_t_min   0.962
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1A), C2(H2A), C4(H4), C5(H5), C7(H7), C9(H9), C12(H12), C13(H13),
 C16(H16), C18(H18), C19(H19), C26(H26), C27(H27), C29(H29), C30(H30), C31(H31)
2.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C24(H24A,H24B,H24C)
2.d Idealised tetrahedral OH refined as rotating group:
 O1(H1), O2(H2)
;
_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 1.896
_oxdiff_exptl_absorpt_empirical_full_min 0.488
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 0.95431(17) 0.34140(16) 0.41397(9) 0.0538(4) Uani 1 1 d . . . . .
H1 H 1.016939 0.329062 0.457292 0.081 Uiso 1 1 calc R U . . .
O2 O 0.8604(3) -1.4046(2) -0.64363(11) 0.0854(6) Uani 1 1 d . . . . .
H2 H 0.901996 -1.467785 -0.619567 0.128 Uiso 1 1 calc R U . . .
N1 N 0.94996(19) 0.23455(18) 0.34110(10) 0.0455(4) Uani 1 1 d . . . . .
N2 N 0.8489(2) -1.29613(19) -0.57669(11) 0.0505(4) Uani 1 1 d . . . . .
C1 C 0.8971(2) 0.0298(2) 0.18022(13) 0.0497(5) Uani 1 1 d . . . . .
H1A H 0.968374 0.011979 0.228069 0.060 Uiso 1 1 calc R U . . .
C2 C 0.8699(2) -0.0590(2) 0.09905(13) 0.0495(5) Uani 1 1 d . . . . .
H2A H 0.923299 -0.135602 0.093451 0.059 Uiso 1 1 calc R U . . .
C3 C 0.7643(2) -0.0363(2) 0.02539(12) 0.0392(4) Uani 1 1 d . . . . .
C4 C 0.6877(2) 0.0798(2) 0.03721(13) 0.0476(5) Uani 1 1 d . . . . .
H4 H 0.617453 0.098946 -0.010806 0.057 Uiso 1 1 calc R U . . .
C5 C 0.7135(2) 0.1674(2) 0.11862(13) 0.0505(5) Uani 1 1 d . . . . .
H5 H 0.658762 0.242766 0.124802 0.061 Uiso 1 1 calc R U . . .
C6 C 0.8196(2) 0.1450(2) 0.19135(12) 0.0400(4) Uani 1 1 d . . . . .
C7 C 0.8469(2) 0.2444(2) 0.27519(13) 0.0446(5) Uani 1 1 d . . . . .
H7 H 0.787393 0.316246 0.280171 0.053 Uiso 1 1 calc R U . . .
C8 C 0.7342(2) -0.1327(2) -0.06144(12) 0.0390(4) Uani 1 1 d . . . . .
C9 C 0.7321(2) -0.2835(2) -0.06069(12) 0.0398(4) Uani 1 1 d . . . . .
H9 H 0.747484 -0.324380 -0.005177 0.048 Uiso 1 1 calc R U . . .
C10 C 0.7074(2) -0.3730(2) -0.14132(11) 0.0366(4) Uani 1 1 d . . . . .
C11 C 0.6874(2) -0.3118(2) -0.22579(11) 0.0354(4) Uani 1 1 d . . . . .
C12 C 0.6862(2) -0.1626(2) -0.22743(12) 0.0426(5) Uani 1 1 d . . . . .
H12 H 0.670435 -0.121764 -0.282926 0.051 Uiso 1 1 calc R U . . .
C13 C 0.7086(2) -0.0745(2) -0.14595(13) 0.0444(5) Uani 1 1 d . . . . .
H13 H 0.706498 0.025345 -0.147455 0.053 Uiso 1 1 calc R U . . .
C14 C 0.67471(19) -0.42972(19) -0.29884(11) 0.0344(4) Uani 1 1 d . . . . .
C15 C 0.68186(19) -0.5615(2) -0.25867(11) 0.0347(4) Uani 1 1 d . . . . .
C16 C 0.6827(2) -0.6894(2) -0.31057(11) 0.0374(4) Uani 1 1 d . . . . .
H16 H 0.685650 -0.776398 -0.282822 0.045 Uiso 1 1 calc R U . . .
C17 C 0.67916(19) -0.6891(2) -0.40501(11) 0.0350(4) Uani 1 1 d . . . . .
C18 C 0.6680(2) -0.5578(2) -0.44492(12) 0.0395(4) Uani 1 1 d . . . . .
H18 H 0.662138 -0.557004 -0.507926 0.047 Uiso 1 1 calc R U . . .
C19 C 0.6655(2) -0.4286(2) -0.39318(12) 0.0392(4) Uani 1 1 d . . . . .
H19 H 0.657710 -0.342482 -0.421102 0.047 Uiso 1 1 calc R U . . .
C20 C 0.6987(2) -0.5385(2) -0.15493(11) 0.0373(4) Uani 1 1 d . . . . .
C21 C 0.8424(2) -0.5888(2) -0.10902(13) 0.0498(5) Uani 1 1 d . . . . .
H21A H 0.853585 -0.565556 -0.043512 0.060 Uiso 1 1 calc R U . . .
H21B H 0.829584 -0.694816 -0.120295 0.060 Uiso 1 1 calc R U . . .
C22 C 0.9865(3) -0.5198(3) -0.14161(16) 0.0681(7) Uani 1 1 d . . . . .
H22A H 0.977213 -0.542955 -0.206335 0.102 Uiso 1 1 calc R U . . .
H22B H 1.070648 -0.557678 -0.110776 0.102 Uiso 1 1 calc R U . . .
H22C H 1.002842 -0.415054 -0.128321 0.102 Uiso 1 1 calc R U . . .
C23 C 0.5595(2) -0.6226(2) -0.12067(13) 0.0488(5) Uani 1 1 d . . . . .
H23A H 0.550497 -0.726523 -0.138796 0.059 Uiso 1 1 calc R U . . .
H23B H 0.576579 -0.610095 -0.054397 0.059 Uiso 1 1 calc R U . . .
C24 C 0.4117(3) -0.5753(3) -0.15540(16) 0.0612(6) Uani 1 1 d . . . . .
H24A H 0.403517 -0.566857 -0.219968 0.092 Uiso 1 1 calc R U . . .
H24B H 0.408392 -0.481869 -0.124638 0.092 Uiso 1 1 calc R U . . .
H24C H 0.329117 -0.647002 -0.143683 0.092 Uiso 1 1 calc R U . . .
C25 C 0.69764(19) -0.8232(2) -0.45854(11) 0.0353(4) Uani 1 1 d . . . . .
C26 C 0.7939(2) -0.9130(2) -0.42002(12) 0.0420(5) Uani 1 1 d . . . . .
H26 H 0.843610 -0.888367 -0.360266 0.050 Uiso 1 1 calc R U . . .
C27 C 0.8180(2) -1.0369(2) -0.46732(13) 0.0462(5) Uani 1 1 d . . . . .
H27 H 0.883256 -1.094308 -0.439487 0.055 Uiso 1 1 calc R U . . .
C28 C 0.7449(2) -1.0768(2) -0.55685(12) 0.0407(4) Uani 1 1 d . . . . .
C29 C 0.6485(2) -0.9883(2) -0.59586(12) 0.0425(5) Uani 1 1 d . . . . .
H29 H 0.598771 -1.013409 -0.655560 0.051 Uiso 1 1 calc R U . . .
C30 C 0.6246(2) -0.8635(2) -0.54820(12) 0.0396(4) Uani 1 1 d . . . . .
H30 H 0.559291 -0.806111 -0.576092 0.047 Uiso 1 1 calc R U . . .
C31 C 0.7709(3) -1.2050(2) -0.61017(14) 0.0538(6) Uani 1 1 d . . . . .
H31 H 0.728291 -1.220746 -0.671662 0.065 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
N1 O1 H1 109.5 . .
N2 O2 H2 109.5 . .
C7 N1 O1 111.01(16) . .
C31 N2 O2 111.05(16) . .
C2 C1 H1A 119.5 . .
C2 C1 C6 120.99(18) . .
C6 C1 H1A 119.5 . .
C1 C2 H2A 119.2 . .
C1 C2 C3 121.55(19) . .
C3 C2 H2A 119.2 . .
C2 C3 C8 121.47(17) . .
C4 C3 C2 116.97(17) . .
C4 C3 C8 121.56(16) . .
C3 C4 H4 119.3 . .
C5 C4 C3 121.47(18) . .
C5 C4 H4 119.3 . .
C4 C5 H5 119.4 . .
C4 C5 C6 121.28(19) . .
C6 C5 H5 119.4 . .
C1 C6 C7 123.09(17) . .
C5 C6 C1 117.73(17) . .
C5 C6 C7 119.17(18) . .
N1 C7 C6 121.39(18) . .
N1 C7 H7 119.3 . .
C6 C7 H7 119.3 . .
C9 C8 C3 120.68(16) . .
C9 C8 C13 118.34(17) . .
C13 C8 C3 120.98(17) . .
C8 C9 H9 119.6 . .
C10 C9 C8 120.83(17) . .
C10 C9 H9 119.6 . .
C9 C10 C11 120.06(17) . .
C9 C10 C20 128.81(16) . .
C11 C10 C20 111.12(15) . .
C10 C11 C14 108.14(15) . .
C12 C11 C10 119.62(16) . .
C12 C11 C14 132.23(16) . .
C11 C12 H12 120.2 . .
C13 C12 C11 119.66(17) . .
C13 C12 H12 120.2 . .
C8 C13 H13 119.3 . .
C12 C13 C8 121.42(18) . .
C12 C13 H13 119.3 . .
C15 C14 C11 108.31(15) . .
C19 C14 C11 132.15(17) . .
C19 C14 C15 119.45(16) . .
C14 C15 C20 111.45(15) . .
C16 C15 C14 121.11(16) . .
C16 C15 C20 127.32(16) . .
C15 C16 H16 119.9 . .
C15 C16 C17 120.15(17) . .
C17 C16 H16 119.9 . .
C16 C17 C25 119.60(16) . .
C18 C17 C16 118.32(16) . .
C18 C17 C25 121.95(16) . .
C17 C18 H18 119.1 . .
C19 C18 C17 121.83(16) . .
C19 C18 H18 119.1 . .
C14 C19 H19 120.5 . .
C18 C19 C14 119.06(17) . .
C18 C19 H19 120.5 . .
C10 C20 C15 100.84(14) . .
C10 C20 C21 112.82(15) . .
C10 C20 C23 111.67(15) . .
C15 C20 C21 110.97(15) . .
C15 C20 C23 110.84(15) . .
C21 C20 C23 109.49(16) . .
C20 C21 H21A 108.7 . .
C20 C21 H21B 108.7 . .
H21A C21 H21B 107.6 . .
C22 C21 C20 114.34(17) . .
C22 C21 H21A 108.7 . .
C22 C21 H21B 108.7 . .
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 . .
C20 C23 H23A 108.6 . .
C20 C23 H23B 108.6 . .
H23A C23 H23B 107.5 . .
C24 C23 C20 114.82(17) . .
C24 C23 H23A 108.6 . .
C24 C23 H23B 108.6 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C17 119.73(15) . .
C26 C25 C30 117.47(17) . .
C30 C25 C17 122.79(16) . .
C25 C26 H26 118.9 . .
C27 C26 C25 122.16(17) . .
C27 C26 H26 118.9 . .
C26 C27 H27 119.9 . .
C26 C27 C28 120.23(18) . .
C28 C27 H27 119.9 . .
C27 C28 C31 121.81(18) . .
C29 C28 C27 118.11(17) . .
C29 C28 C31 120.05(17) . .
C28 C29 H29 119.2 . .
C30 C29 C28 121.60(17) . .
C30 C29 H29 119.2 . .
C25 C30 H30 119.8 . .
C29 C30 C25 120.43(17) . .
C29 C30 H30 119.8 . .
N2 C31 C28 123.12(18) . .
N2 C31 H31 118.4 . .
C28 C31 H31 118.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 H1 0.8200 .
O1 N1 1.4119(19) .
O2 H2 0.8200 .
O2 N2 1.396(2) .
N1 C7 1.269(2) .
N2 C31 1.268(3) .
C1 H1A 0.9300 .
C1 C2 1.382(3) .
C1 C6 1.387(3) .
C2 H2A 0.9300 .
C2 C3 1.394(3) .
C3 C4 1.390(3) .
C3 C8 1.485(2) .
C4 H4 0.9300 .
C4 C5 1.380(3) .
C5 H5 0.9300 .
C5 C6 1.386(3) .
C6 C7 1.466(2) .
C7 H7 0.9300 .
C8 C9 1.395(3) .
C8 C13 1.400(3) .
C9 H9 0.9300 .
C9 C10 1.380(2) .
C10 C11 1.408(2) .
C10 C20 1.521(2) .
C11 C12 1.386(3) .
C11 C14 1.469(2) .
C12 H12 0.9300 .
C12 C13 1.386(3) .
C13 H13 0.9300 .
C14 C15 1.398(2) .
C14 C19 1.392(2) .
C15 C16 1.375(2) .
C15 C20 1.524(2) .
C16 H16 0.9300 .
C16 C17 1.399(2) .
C17 C18 1.398(3) .
C17 C25 1.480(2) .
C18 H18 0.9300 .
C18 C19 1.386(2) .
C19 H19 0.9300 .
C20 C21 1.537(3) .
C20 C23 1.542(3) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 C22 1.519(3) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 C24 1.509(3) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.391(3) .
C25 C30 1.395(2) .
C26 H26 0.9300 .
C26 C27 1.373(3) .
C27 H27 0.9300 .
C27 C28 1.393(3) .
C28 C29 1.386(3) .
C28 C31 1.458(3) .
C29 H29 0.9300 .
C29 C30 1.382(3) .
C30 H30 0.9300 .
C31 H31 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
O1 N1 C7 C6 -179.90(17) . . . .
O2 N2 C31 C28 -177.6(2) . . . .
C1 C2 C3 C4 0.1(3) . . . .
C1 C2 C3 C8 -179.39(19) . . . .
C1 C6 C7 N1 3.8(3) . . . .
C2 C1 C6 C5 0.4(3) . . . .
C2 C1 C6 C7 -178.5(2) . . . .
C2 C3 C4 C5 -0.9(3) . . . .
C2 C3 C8 C9 38.0(3) . . . .
C2 C3 C8 C13 -141.4(2) . . . .
C3 C4 C5 C6 1.5(3) . . . .
C3 C8 C9 C10 -178.57(17) . . . .
C3 C8 C13 C12 177.46(17) . . . .
C4 C3 C8 C9 -141.4(2) . . . .
C4 C3 C8 C13 39.1(3) . . . .
C4 C5 C6 C1 -1.2(3) . . . .
C4 C5 C6 C7 177.74(19) . . . .
C5 C6 C7 N1 -175.1(2) . . . .
C6 C1 C2 C3 0.1(3) . . . .
C8 C3 C4 C5 178.62(19) . . . .
C8 C9 C10 C11 1.5(3) . . . .
C8 C9 C10 C20 -179.04(18) . . . .
C9 C8 C13 C12 -2.0(3) . . . .
C9 C10 C11 C12 -2.8(3) . . . .
C9 C10 C11 C14 175.92(16) . . . .
C9 C10 C20 C15 -175.82(18) . . . .
C9 C10 C20 C21 -57.4(3) . . . .
C9 C10 C20 C23 66.4(2) . . . .
C10 C11 C12 C13 1.7(3) . . . .
C10 C11 C14 C15 2.0(2) . . . .
C10 C11 C14 C19 -174.40(19) . . . .
C10 C20 C21 C22 -58.3(2) . . . .
C10 C20 C23 C24 50.0(2) . . . .
C11 C10 C20 C15 3.72(19) . . . .
C11 C10 C20 C21 122.14(17) . . . .
C11 C10 C20 C23 -114.04(17) . . . .
C11 C12 C13 C8 0.7(3) . . . .
C11 C14 C15 C16 -175.71(16) . . . .
C11 C14 C15 C20 0.5(2) . . . .
C11 C14 C19 C18 174.19(18) . . . .
C12 C11 C14 C15 -179.59(19) . . . .
C12 C11 C14 C19 4.0(3) . . . .
C13 C8 C9 C10 0.9(3) . . . .
C14 C11 C12 C13 -176.63(19) . . . .
C14 C15 C16 C17 1.2(3) . . . .
C14 C15 C20 C10 -2.48(19) . . . .
C14 C15 C20 C21 -122.23(17) . . . .
C14 C15 C20 C23 115.89(17) . . . .
C15 C14 C19 C18 -1.9(3) . . . .
C15 C16 C17 C18 -2.8(3) . . . .
C15 C16 C17 C25 173.08(16) . . . .
C15 C20 C21 C22 54.0(2) . . . .
C15 C20 C23 C24 -61.5(2) . . . .
C16 C15 C20 C10 173.42(17) . . . .
C16 C15 C20 C21 53.7(2) . . . .
C16 C15 C20 C23 -68.2(2) . . . .
C16 C17 C18 C19 2.1(3) . . . .
C16 C17 C25 C26 -35.1(2) . . . .
C16 C17 C25 C30 146.38(18) . . . .
C17 C18 C19 C14 0.2(3) . . . .
C17 C25 C26 C27 -178.47(18) . . . .
C17 C25 C30 C29 178.50(17) . . . .
C18 C17 C25 C26 140.65(19) . . . .
C18 C17 C25 C30 -37.9(3) . . . .
C19 C14 C15 C16 1.2(3) . . . .
C19 C14 C15 C20 177.39(16) . . . .
C20 C10 C11 C12 177.66(16) . . . .
C20 C10 C11 C14 -3.7(2) . . . .
C20 C15 C16 C17 -174.37(17) . . . .
C21 C20 C23 C24 175.73(17) . . . .
C23 C20 C21 C22 176.65(17) . . . .
C25 C17 C18 C19 -173.63(16) . . . .
C25 C26 C27 C28 -0.1(3) . . . .
C26 C25 C30 C29 -0.1(3) . . . .
C26 C27 C28 C29 0.0(3) . . . .
C26 C27 C28 C31 178.17(19) . . . .
C27 C28 C29 C30 0.1(3) . . . .
C27 C28 C31 N2 7.1(3) . . . .
C28 C29 C30 C25 0.0(3) . . . .
C29 C28 C31 N2 -174.8(2) . . . .
C30 C25 C26 C27 0.2(3) . . . .
C31 C28 C29 C30 -178.13(19) . . . .
