#------------------------------------------------------------------------------
#$Date: 2019-10-30 10:32:58 +0200 (Wed, 30 Oct 2019) $
#$Revision: 220538 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/48/7234865.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_7234865
loop_
_publ_author_name
'Yanze Liu'
'Yunxiang Lei'
'Miaochang Liu'
'Fei Li'
'Hongping Xiao'
'Jiuxi Chen'
'Xiaobo Huang'
'Wenxia Gao'
'Huayue Wu'
'Yixiang Cheng'
_publ_section_title
;
 The effect of N-alkyl chain length on the photophysical properties of
 indene-1,3-dionemethylene-1,4-dihydropyridine derivatives
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5970
_journal_page_last               5980
_journal_paper_doi               10.1039/C6TC01877G
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C36 H32 N O2, C H Cl3, H2 O'
_chemical_formula_sum            'C37 H35 Cl3 N O3'
_chemical_formula_weight         648.01
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                109.704(2)
_cell_angle_beta                 97.327(2)
_cell_angle_gamma                95.420(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5014(4)
_cell_length_b                   12.7359(6)
_cell_length_c                   16.5492(8)
_cell_measurement_reflns_used    8491
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      56.78
_cell_measurement_theta_min      2.88
_cell_volume                     1654.91(14)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP (Bruker, 2002)'
_computing_publication_material  'SHELXL-97 (Bruker, 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0827
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12741
_diffrn_reflns_theta_full        65.49
_diffrn_reflns_theta_max         65.49
_diffrn_reflns_theta_min         3.73
_exptl_absorpt_coefficient_mu    2.798
_exptl_absorpt_correction_T_max  0.6789
_exptl_absorpt_correction_T_min  0.5413
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             678
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       0.0038(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         5513
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1711
_refine_ls_R_factor_gt           0.0869
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1999P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2260
_refine_ls_wR_factor_ref         0.2588
_reflns_number_gt                2562
_reflns_number_total             5513
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-5970.cif
_cod_data_source_block           cu_20151029c_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               7234865
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.8078(4) 0.4001(2) 0.9146(2) 0.2361(13) Uani 1 1 d . . .
Cl2 Cl 0.7002(2) 0.58538(15) 1.02380(13) 0.1675(7) Uani 1 1 d . . .
Cl3 Cl 0.8037(3) 0.62049(19) 0.87813(14) 0.2092(11) Uani 1 1 d . . .
O1 O 0.1040(3) 0.16075(15) 0.50205(12) 0.0792(8) Uani 1 1 d . . .
O2 O 0.4496(3) 0.41770(16) 0.75017(13) 0.0813(8) Uani 1 1 d . . .
O3 O 0.9012(9) 0.4328(5) 0.8469(8) 0.277(5) Uani 1 1 d . . .
H3A H 0.9807 0.4292 0.8201 0.416 Uiso 1 1 d R . .
H3B H 0.8959 0.5014 0.8754 0.416 Uiso 1 1 d R . .
N1 N 0.2757(4) 0.56434(19) 0.48972(15) 0.0717(8) Uani 1 1 d . . .
C1 C 0.1914(4) 0.2077(2) 0.57347(15) 0.0564(8) Uani 1 1 d . . .
C2 C 0.2328(4) 0.1474(2) 0.63492(14) 0.0569(8) Uani 1 1 d . . .
C3 C 0.1928(4) 0.0353(2) 0.62569(18) 0.0735(10) Uani 1 1 d . . .
H3 H 0.1213 -0.0143 0.5777 0.088 Uiso 1 1 calc R . .
C4 C 0.2631(5) -0.0004(3) 0.6905(2) 0.0872(11) Uani 1 1 d . . .
H4 H 0.2374 -0.0748 0.6864 0.105 Uiso 1 1 calc R . .
C5 C 0.3717(5) 0.0741(3) 0.76168(19) 0.0874(12) Uani 1 1 d . . .
H5 H 0.4201 0.0484 0.8036 0.105 Uiso 1 1 calc R . .
C6 C 0.4078(5) 0.1850(2) 0.77036(18) 0.0769(10) Uani 1 1 d . . .
H6 H 0.4770 0.2352 0.8190 0.092 Uiso 1 1 calc R . .
C7 C 0.3400(4) 0.2213(2) 0.70602(15) 0.0585(8) Uani 1 1 d . . .
C8 C 0.3665(4) 0.3339(2) 0.69655(15) 0.0573(8) Uani 1 1 d . . .
C9 C 0.2705(3) 0.3219(2) 0.61285(15) 0.0514(7) Uani 1 1 d . . .
C10 C 0.2695(4) 0.4047(2) 0.57324(15) 0.0549(7) Uani 1 1 d . . .
C11 C 0.1746(4) 0.3871(2) 0.49209(15) 0.0581(8) Uani 1 1 d . . .
H11 H 0.1064 0.3191 0.4645 0.070 Uiso 1 1 calc R . .
C12 C 0.1777(4) 0.4643(2) 0.45225(16) 0.0595(8) Uani 1 1 d . . .
C13 C 0.0660(4) 0.4395(3) 0.36995(17) 0.0708(9) Uani 1 1 d . . .
H13 H 0.0320 0.4997 0.3563 0.085 Uiso 1 1 calc R . .
C14 C 0.0123(4) 0.3369(2) 0.31515(17) 0.0723(10) Uani 1 1 d . . .
H14 H 0.0535 0.2788 0.3289 0.087 Uiso 1 1 calc R . .
C15 C -0.1042(4) 0.3035(2) 0.23537(16) 0.0659(9) Uani 1 1 d . . .
C16 C -0.1398(5) 0.1909(2) 0.18291(18) 0.0780(11) Uani 1 1 d . . .
H16 H -0.0841 0.1393 0.1985 0.094 Uiso 1 1 calc R . .
C17 C -0.2522(6) 0.1525(3) 0.1098(2) 0.0944(12) Uani 1 1 d . . .
H17 H -0.2752 0.0755 0.0783 0.113 Uiso 1 1 calc R . .
C18 C -0.3339(5) 0.2263(3) 0.08099(19) 0.0883(11) Uani 1 1 d . . .
C19 C -0.2964(5) 0.3415(3) 0.1338(2) 0.0829(11) Uani 1 1 d . . .
H19 H -0.3475 0.3939 0.1167 0.100 Uiso 1 1 calc R . .
C20 C -0.1891(4) 0.3775(2) 0.20795(17) 0.0689(9) Uani 1 1 d . . .
H20 H -0.1708 0.4537 0.2419 0.083 Uiso 1 1 calc R . .
C21 C -0.4571(6) 0.1867(4) -0.0007(2) 0.1169(15) Uani 1 1 d . . .
H21A H -0.4119 0.2032 -0.0461 0.175 Uiso 1 1 calc R . .
H21B H -0.5487 0.2248 0.0102 0.175 Uiso 1 1 calc R . .
H21C H -0.4895 0.1069 -0.0183 0.175 Uiso 1 1 calc R . .
C22 C 0.3724(4) 0.5112(2) 0.60964(16) 0.0600(8) Uani 1 1 d . . .
H22 H 0.4408 0.5276 0.6623 0.072 Uiso 1 1 calc R . .
C23 C 0.3736(4) 0.5880(2) 0.57037(17) 0.0644(8) Uani 1 1 d . . .
C24 C 0.4809(4) 0.6966(2) 0.60966(19) 0.0709(9) Uani 1 1 d . . .
H24 H 0.5118 0.7326 0.5726 0.085 Uiso 1 1 calc R . .
C25 C 0.5353(5) 0.7455(3) 0.69246(19) 0.0785(10) Uani 1 1 d . . .
H25 H 0.4959 0.7101 0.7281 0.094 Uiso 1 1 calc R . .
C26 C 0.6465(4) 0.8453(2) 0.7359(2) 0.0726(10) Uani 1 1 d . . .
C27 C 0.6897(5) 0.8838(3) 0.8267(2) 0.0888(11) Uani 1 1 d . . .
H27 H 0.6418 0.8455 0.8582 0.107 Uiso 1 1 calc R . .
C28 C 0.8041(5) 0.9794(3) 0.8704(3) 0.1022(13) Uani 1 1 d . . .
H28 H 0.8288 1.0033 0.9308 0.123 Uiso 1 1 calc R . .
C29 C 0.8824(5) 1.0403(3) 0.8280(3) 0.0953(12) Uani 1 1 d . . .
C30 C 0.8393(5) 0.9993(3) 0.7403(3) 0.0975(12) Uani 1 1 d . . .
H30 H 0.8888 1.0380 0.7095 0.117 Uiso 1 1 calc R . .
C31 C 0.7294(5) 0.9062(3) 0.6928(2) 0.0839(11) Uani 1 1 d . . .
H31 H 0.7092 0.8829 0.6324 0.101 Uiso 1 1 calc R . .
C32 C 1.0029(7) 1.1406(4) 0.8780(5) 0.144(2) Uani 1 1 d . . .
H32A H 1.1056 1.1275 0.8616 0.216 Uiso 1 1 calc R . .
H32B H 1.0094 1.1546 0.9391 0.216 Uiso 1 1 calc R . .
H32C H 0.9718 1.2049 0.8656 0.216 Uiso 1 1 calc R . .
C33 C 0.3094(6) 0.6424(3) 0.4344(3) 0.1174(15) Uani 1 1 d . . .
H33A H 0.4216 0.6752 0.4478 0.141 Uiso 1 1 calc R . .
H33B H 0.2822 0.5991 0.3725 0.141 Uiso 1 1 calc R . .
C34 C 0.2152(6) 0.7237(5) 0.4576(3) 0.1260(17) Uani 1 1 d . . .
H34A H 0.2453 0.7697 0.5188 0.151 Uiso 1 1 calc R . .
H34B H 0.1032 0.6913 0.4462 0.151 Uiso 1 1 calc R . .
C35 C 0.2490(7) 0.7993(6) 0.3950(5) 0.154(3) Uani 1 1 d . . .
H35A H 0.2712 0.7509 0.3396 0.184 Uiso 1 1 calc R . .
H35B H 0.1550 0.8332 0.3838 0.184 Uiso 1 1 calc R . .
C36 C 0.3742(10) 0.8796(6) 0.4358(5) 0.160(2) Uani 1 1 d . . .
H36A H 0.4263 0.8855 0.4905 0.192 Uiso 1 1 calc R . .
H36B H 0.4092 0.9296 0.4097 0.192 Uiso 1 1 calc R . .
C37 C 0.7233(7) 0.5129(4) 0.9130(5) 0.182(4) Uani 1 1 d . . .
H37 H 0.6149 0.4843 0.8793 0.218 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'
Cl Cl 0.3639 0.7018 '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
C37 Cl1 H3B 57.7 . .
C37 Cl3 H3B 56.3 . .
H3A O3 H3B 109.5 . .
C12 N1 C23 119.6(2) . .
C12 N1 C33 120.2(3) . .
C23 N1 C33 118.8(3) . .
O1 C1 C9 129.6(2) . .
O1 C1 C2 122.4(2) . .
C9 C1 C2 108.0(2) . .
C7 C2 C3 121.3(3) . .
C7 C2 C1 108.0(2) . .
C3 C2 C1 130.4(2) . .
C2 C3 C4 117.8(3) . .
C2 C3 H3 121.1 . .
C4 C3 H3 121.1 . .
C3 C4 C5 120.8(3) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C6 C5 C4 120.6(3) . .
C6 C5 H5 119.7 . .
C4 C5 H5 119.7 . .
C5 C6 C7 119.2(3) . .
C5 C6 H6 120.4 . .
C7 C6 H6 120.4 . .
C6 C7 C2 120.3(3) . .
C6 C7 C8 130.0(2) . .
C2 C7 C8 109.6(2) . .
O2 C8 C9 128.6(2) . .
O2 C8 C7 125.2(2) . .
C9 C8 C7 106.2(2) . .
C10 C9 C1 125.5(2) . .
C10 C9 C8 126.0(2) . .
C1 C9 C8 108.1(2) . .
C11 C10 C9 123.0(2) . .
C11 C10 C22 114.1(2) . .
C9 C10 C22 122.8(2) . .
C12 C11 C10 123.3(3) . .
C12 C11 H11 118.3 . .
C10 C11 H11 118.3 . .
N1 C12 C11 120.4(2) . .
N1 C12 C13 120.9(2) . .
C11 C12 C13 118.6(3) . .
C14 C13 C12 123.4(3) . .
C14 C13 H13 118.3 . .
C12 C13 H13 118.3 . .
C13 C14 C15 127.5(3) . .
C13 C14 H14 116.2 . .
C15 C14 H14 116.2 . .
C16 C15 C20 116.1(2) . .
C16 C15 C14 119.4(3) . .
C20 C15 C14 124.5(3) . .
C17 C16 C15 122.9(3) . .
C17 C16 H16 118.6 . .
C15 C16 H16 118.6 . .
C16 C17 C18 121.1(3) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C17 C18 C19 116.1(3) . .
C17 C18 C21 122.5(3) . .
C19 C18 C21 121.4(4) . .
C20 C19 C18 121.9(3) . .
C20 C19 H19 119.1 . .
C18 C19 H19 119.1 . .
C19 C20 C15 121.8(3) . .
C19 C20 H20 119.1 . .
C15 C20 H20 119.1 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 C10 122.3(3) . .
C23 C22 H22 118.8 . .
C10 C22 H22 118.8 . .
C22 C23 N1 120.2(3) . .
C22 C23 C24 120.9(3) . .
N1 C23 C24 118.9(2) . .
C25 C24 C23 124.6(3) . .
C25 C24 H24 117.7 . .
C23 C24 H24 117.7 . .
C24 C25 C26 128.9(3) . .
C24 C25 H25 115.5 . .
C26 C25 H25 115.5 . .
C27 C26 C31 116.0(3) . .
C27 C26 C25 119.8(3) . .
C31 C26 C25 124.0(3) . .
C28 C27 C26 120.6(4) . .
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 . .
C29 C28 C27 123.2(4) . .
C29 C28 H28 118.4 . .
C27 C28 H28 118.4 . .
C30 C29 C28 114.4(3) . .
C30 C29 C32 125.0(5) . .
C28 C29 C32 120.6(5) . .
C29 C30 C31 126.0(4) . .
C29 C30 H30 117.0 . .
C31 C30 H30 117.0 . .
C30 C31 C26 119.8(4) . .
C30 C31 H31 120.1 . .
C26 C31 H31 120.1 . .
C29 C32 H32A 109.5 . .
C29 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C29 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 N1 105.6(4) . .
C34 C33 H33A 110.6 . .
N1 C33 H33A 110.6 . .
C34 C33 H33B 110.6 . .
N1 C33 H33B 110.6 . .
H33A C33 H33B 108.8 . .
C33 C34 C35 103.6(5) . .
C33 C34 H34A 111.0 . .
C35 C34 H34A 111.0 . .
C33 C34 H34B 111.0 . .
C35 C34 H34B 111.0 . .
H34A C34 H34B 109.0 . .
C36 C35 C34 108.9(5) . .
C36 C35 H35A 109.9 . .
C34 C35 H35A 109.9 . .
C36 C35 H35B 109.9 . .
C34 C35 H35B 109.9 . .
H35A C35 H35B 108.3 . .
C35 C36 H36A 120.0 . .
C35 C36 H36B 120.0 . .
H36A C36 H36B 120.0 . .
Cl1 C37 Cl3 125.9(5) . .
Cl1 C37 Cl2 105.3(4) . .
Cl3 C37 Cl2 104.6(3) . .
Cl1 C37 H37 106.6 . .
Cl3 C37 H37 106.6 . .
Cl2 C37 H37 106.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 C37 1.672(6) .
Cl1 H3B 1.7766 .
Cl2 C37 1.800(9) .
Cl3 C37 1.771(8) .
Cl3 H3B 1.7618 .
O1 C1 1.234(3) .
O2 C8 1.218(3) .
O3 H3A 0.8500 .
O3 H3B 0.8500 .
N1 C12 1.356(4) .
N1 C23 1.401(4) .
N1 C33 1.592(6) .
C1 C9 1.433(4) .
C1 C2 1.496(4) .
C2 C7 1.385(4) .
C2 C3 1.387(4) .
C3 C4 1.390(5) .
C3 H3 0.9300 .
C4 C5 1.394(5) .
C4 H4 0.9300 .
C5 C6 1.371(4) .
C5 H5 0.9300 .
C6 C7 1.380(4) .
C6 H6 0.9300 .
C7 C8 1.493(4) .
C8 C9 1.467(4) .
C9 C10 1.417(4) .
C10 C11 1.411(4) .
C10 C22 1.435(4) .
C11 C12 1.356(4) .
C11 H11 0.9300 .
C12 C13 1.477(4) .
C13 C14 1.311(4) .
C13 H13 0.9300 .
C14 C15 1.454(4) .
C14 H14 0.9300 .
C15 C16 1.383(4) .
C15 C20 1.395(4) .
C16 C17 1.354(5) .
C16 H16 0.9300 .
C17 C18 1.391(6) .
C17 H17 0.9300 .
C18 C19 1.412(5) .
C18 C21 1.502(5) .
C19 C20 1.344(5) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C23 1.345(4) .
C22 H22 0.9300 .
C23 C24 1.473(4) .
C24 C25 1.299(4) .
C24 H24 0.9300 .
C25 C26 1.418(5) .
C25 H25 0.9300 .
C26 C27 1.400(4) .
C26 C31 1.416(5) .
C27 C28 1.398(6) .
C27 H27 0.9300 .
C28 C29 1.388(6) .
C28 H28 0.9300 .
C29 C30 1.352(6) .
C29 C32 1.480(6) .
C30 C31 1.368(5) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.353(6) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.666(8) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.334(9) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9300 .
C36 H36B 0.9300 .
C37 H37 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
O1 C1 C2 C7 176.3(3) . . . .
C9 C1 C2 C7 -3.2(3) . . . .
O1 C1 C2 C3 2.8(5) . . . .
C9 C1 C2 C3 -176.7(3) . . . .
C7 C2 C3 C4 0.4(5) . . . .
C1 C2 C3 C4 173.1(3) . . . .
C2 C3 C4 C5 -0.8(6) . . . .
C3 C4 C5 C6 1.9(6) . . . .
C4 C5 C6 C7 -2.5(6) . . . .
C5 C6 C7 C2 2.1(5) . . . .
C5 C6 C7 C8 -175.7(4) . . . .
C3 C2 C7 C6 -1.1(5) . . . .
C1 C2 C7 C6 -175.2(3) . . . .
C3 C2 C7 C8 177.1(3) . . . .
C1 C2 C7 C8 2.9(3) . . . .
C6 C7 C8 O2 -5.1(6) . . . .
C2 C7 C8 O2 177.0(3) . . . .
C6 C7 C8 C9 176.4(3) . . . .
C2 C7 C8 C9 -1.6(3) . . . .
O1 C1 C9 C10 -3.5(5) . . . .
C2 C1 C9 C10 176.0(3) . . . .
O1 C1 C9 C8 -177.3(3) . . . .
C2 C1 C9 C8 2.2(3) . . . .
O2 C8 C9 C10 7.3(5) . . . .
C7 C8 C9 C10 -174.2(3) . . . .
O2 C8 C9 C1 -179.0(3) . . . .
C7 C8 C9 C1 -0.5(3) . . . .
C1 C9 C10 C11 6.9(4) . . . .
C8 C9 C10 C11 179.6(3) . . . .
C1 C9 C10 C22 -169.1(3) . . . .
C8 C9 C10 C22 3.6(5) . . . .
C9 C10 C11 C12 -177.3(3) . . . .
C22 C10 C11 C12 -1.0(4) . . . .
C23 N1 C12 C11 -0.3(5) . . . .
C33 N1 C12 C11 166.0(3) . . . .
C23 N1 C12 C13 176.3(3) . . . .
C33 N1 C12 C13 -17.4(5) . . . .
C10 C11 C12 N1 0.3(5) . . . .
C10 C11 C12 C13 -176.4(3) . . . .
N1 C12 C13 C14 154.8(3) . . . .
C11 C12 C13 C14 -28.6(5) . . . .
C12 C13 C14 C15 176.2(3) . . . .
C13 C14 C15 C16 176.3(3) . . . .
C13 C14 C15 C20 -5.7(6) . . . .
C20 C15 C16 C17 -1.3(5) . . . .
C14 C15 C16 C17 176.8(4) . . . .
C15 C16 C17 C18 3.1(6) . . . .
C16 C17 C18 C19 -2.1(6) . . . .
C16 C17 C18 C21 178.9(4) . . . .
C17 C18 C19 C20 -0.6(6) . . . .
C21 C18 C19 C20 178.5(4) . . . .
C18 C19 C20 C15 2.4(6) . . . .
C16 C15 C20 C19 -1.5(5) . . . .
C14 C15 C20 C19 -179.5(3) . . . .
C11 C10 C22 C23 1.9(4) . . . .
C9 C10 C22 C23 178.2(3) . . . .
C10 C22 C23 N1 -2.0(5) . . . .
C10 C22 C23 C24 180.0(3) . . . .
C12 N1 C23 C22 1.2(5) . . . .
C33 N1 C23 C22 -165.3(3) . . . .
C12 N1 C23 C24 179.2(3) . . . .
C33 N1 C23 C24 12.7(5) . . . .
C22 C23 C24 C25 -26.2(5) . . . .
N1 C23 C24 C25 155.8(3) . . . .
C23 C24 C25 C26 175.4(3) . . . .
C24 C25 C26 C27 -179.9(4) . . . .
C24 C25 C26 C31 -5.2(6) . . . .
C31 C26 C27 C28 2.2(6) . . . .
C25 C26 C27 C28 177.3(4) . . . .
C26 C27 C28 C29 -0.9(7) . . . .
C27 C28 C29 C30 -0.1(6) . . . .
C27 C28 C29 C32 -179.8(4) . . . .
C28 C29 C30 C31 -0.3(6) . . . .
C32 C29 C30 C31 179.4(4) . . . .
C29 C30 C31 C26 1.7(7) . . . .
C27 C26 C31 C30 -2.6(5) . . . .
C25 C26 C31 C30 -177.4(4) . . . .
C12 N1 C33 C34 101.3(4) . . . .
C23 N1 C33 C34 -92.3(4) . . . .
N1 C33 C34 C35 -177.6(3) . . . .
C33 C34 C35 C36 -88.3(7) . . . .
