#------------------------------------------------------------------------------
#$Date: 2019-09-26 10:40:30 +0300 (Thu, 26 Sep 2019) $
#$Revision: 218869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/41/7234183.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_7234183
loop_
_publ_author_name
'Pengchong Xue'
'Jiabao Sun'
'Peng Chen'
'Peng Gong'
'Boqi Yao'
'Zhenqi Zhang'
'Chong Qian'
'Ran Lu'
_publ_section_title
;
 Strong solid emission and mechanofluorochromism of carbazole-based
 terephthalate derivatives adjusted by alkyl chains
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4086
_journal_page_last               4092
_journal_paper_doi               10.1039/C5TC00267B
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C52 H60 N2 O4'
_chemical_formula_weight         777.02
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 115.388(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.598(3)
_cell_length_b                   10.1507(6)
_cell_length_c                   22.926(3)
_cell_measurement_reflns_used    9753
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.72
_cell_measurement_theta_min      3.25
_cell_volume                     4540.8(11)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.868
_diffrn_measured_fraction_theta_max 0.868
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0980
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            25547
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         3.28
_exptl_absorpt_coefficient_mu    0.071
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.604
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.0053(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         11529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.2474
_refine_ls_R_factor_gt           0.1113
_refine_ls_shift/su_max          4.588
_refine_ls_shift/su_mean         0.042
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1849P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3136
_refine_ls_wR_factor_ref         0.4182
_reflns_number_gt                3694
_reflns_number_total             11529
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-4086.cif
_cod_data_source_block           2
_cod_original_cell_volume        4540.9(9)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7234183
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C 0.22908(17) 0.8727(3) 0.20861(18) 0.0616(9) Uani 1 1 d . . .
C2 C 0.21172(16) 0.8656(3) 0.26110(17) 0.0564(9) Uani 1 1 d . . .
C3 C 0.32031(19) 0.5517(3) 0.21763(18) 0.0621(9) Uani 1 1 d . . .
C4 C 0.28471(16) 0.6585(3) 0.23498(17) 0.0556(9) Uani 1 1 d . . .
C5 C 0.23018(16) 0.7539(3) 0.29805(17) 0.0615(9) Uani 1 1 d . . .
H5A H 0.2177 0.7458 0.3320 0.074 Uiso 1 1 calc R . .
C6 C 0.0507(4) 1.1478(6) 0.0831(4) 0.193(4) Uani 1 1 d . . .
H6A H 0.0338 1.2217 0.0545 0.289 Uiso 1 1 calc R . .
H6B H 0.0466 1.1657 0.1224 0.289 Uiso 1 1 calc R . .
H6C H 0.0244 1.0708 0.0629 0.289 Uiso 1 1 calc R . .
C7 C 0.08716(17) 1.0510(3) 0.30646(16) 0.0580(9) Uani 1 1 d . . .
C8 C 0.41067(17) 0.4728(3) 0.19169(17) 0.0582(9) Uani 1 1 d . . .
C9 C 0.26575(17) 0.7704(3) 0.19716(17) 0.0627(10) Uani 1 1 d . . .
H9A H 0.2778 0.7779 0.1629 0.075 Uiso 1 1 calc R . .
C10 C 0.17589(18) 0.9731(3) 0.27803(17) 0.0613(9) Uani 1 1 d . . .
C11 C 0.1189(3) 1.1264(5) 0.0968(3) 0.1195(19) Uani 1 1 d . . .
H11A H 0.1458 1.2038 0.1171 0.143 Uiso 1 1 calc R . .
H11B H 0.1236 1.1087 0.0574 0.143 Uiso 1 1 calc R . .
C12 C 0.37851(17) 0.5755(3) 0.20836(16) 0.0588(9) Uani 1 1 d . . .
H12A H 0.3963 0.6603 0.2133 0.071 Uiso 1 1 calc R . .
C13 C 0.4437(4) 0.3682(6) 0.4088(4) 0.184(3) Uani 1 1 d . . .
H13A H 0.4596 0.2918 0.4358 0.276 Uiso 1 1 calc R . .
H13B H 0.4707 0.4432 0.4307 0.276 Uiso 1 1 calc R . .
H13C H 0.4479 0.3537 0.3693 0.276 Uiso 1 1 calc R . .
C14 C 0.3531(11) -0.4909(19) -0.0199(12) 0.294(11) Uani 1 1 d . . .
H14A H 0.343(8) -0.506(15) -0.065(6) 0.353 Uiso 1 1 calc . A 1
H14B H 0.401(9) -0.52(2) 0.003(11) 0.353 Uiso 1 1 calc . B 1
C15 C 0.02851(18) 1.0595(4) 0.32063(17) 0.0650(10) Uani 1 1 d . . .
C16 C 0.1356(8) 2.0279(10) 0.5212(6) 0.271(9) Uani 1 1 d . . .
H16A H 0.0887 2.0427 0.4900 0.325 Uiso 1 1 calc R . .
H16B H 0.1395 2.0567 0.5630 0.325 Uiso 1 1 calc R . .
C17 C 0.26687(17) 0.6518(3) 0.28694(18) 0.0597(9) Uani 1 1 d . . .
C18 C 0.11948(17) 0.9478(3) 0.28992(17) 0.0581(9) Uani 1 1 d . . .
H18A H 0.1030 0.8622 0.2869 0.070 Uiso 1 1 calc R . .
C19 C 0.2079(2) 0.9819(3) 0.1602(2) 0.0701(11) Uani 1 1 d . . .
C20 C 0.20001(19) 1.1047(3) 0.28308(18) 0.0702(11) Uani 1 1 d . . .
H20A H 0.2373 1.1218 0.2740 0.084 Uiso 1 1 calc R . .
C21 C 0.11318(19) 1.1800(3) 0.31185(18) 0.0670(10) Uani 1 1 d . . .
C22 C 0.1511(6) 1.8793(8) 0.5244(5) 0.214(4) Uani 1 1 d . . .
H22A H 0.1989 1.8667 0.5538 0.257 Uiso 1 1 calc R . .
H22B H 0.1240 1.8358 0.5433 0.257 Uiso 1 1 calc R . .
C23 C 0.2876(2) 0.5410(3) 0.3351(2) 0.0679(10) Uani 1 1 d . . .
C24 C 0.47163(19) 0.4642(4) 0.18064(18) 0.0667(10) Uani 1 1 d . . .
C25 C 0.38369(19) 0.3445(3) 0.18449(16) 0.0629(10) Uani 1 1 d . . .
C26 C 0.1704(2) 1.2077(3) 0.30084(19) 0.0744(11) Uani 1 1 d . . .
H26A H 0.1880 1.2926 0.3053 0.089 Uiso 1 1 calc R . .
C27 C 0.29538(19) 0.4206(3) 0.21092(19) 0.0712(11) Uani 1 1 d . . .
H27A H 0.2573 0.4037 0.2187 0.085 Uiso 1 1 calc R . .
C28 C 0.5202(2) 0.5560(4) 0.1822(2) 0.0791(11) Uani 1 1 d . . .
H28A H 0.5160 0.6445 0.1904 0.095 Uiso 1 1 calc R . .
C29 C 0.3250(2) 0.3177(3) 0.19338(19) 0.0727(11) Uani 1 1 d . . .
H29A H 0.3067 0.2332 0.1876 0.087 Uiso 1 1 calc R . .
C30 C 0.4789(2) 0.3325(4) 0.16769(18) 0.0720(11) Uani 1 1 d . . .
C31 C 0.0204(2) 1.1908(4) 0.33264(18) 0.0729(11) Uani 1 1 d . . .
C32 C -0.0182(2) 0.9666(4) 0.3221(2) 0.0801(11) Uani 1 1 d . . .
H32A H -0.0137 0.8780 0.3143 0.096 Uiso 1 1 calc R . .
C33 C -0.0323(2) 1.2342(5) 0.3468(2) 0.0917(14) Uani 1 1 d . . .
H33A H -0.0366 1.3225 0.3554 0.110 Uiso 1 1 calc R . .
C34 C 0.5332(3) 0.2877(5) 0.1558(2) 0.0947(14) Uani 1 1 d . . .
H34A H 0.5370 0.1997 0.1465 0.114 Uiso 1 1 calc R . .
C35 C 0.4128(2) 0.1190(4) 0.1569(2) 0.0925(14) Uani 1 1 d . . .
H35A H 0.4566 0.0743 0.1776 0.111 Uiso 1 1 calc R . .
H35B H 0.3846 0.0888 0.1777 0.111 Uiso 1 1 calc R . .
C36 C 0.5812(2) 0.3804(5) 0.1585(2) 0.0985(15) Uani 1 1 d . . .
H36A H 0.6187 0.3535 0.1516 0.118 Uiso 1 1 calc R . .
C37 C -0.0716(2) 1.0100(5) 0.3357(2) 0.1006(15) Uani 1 1 d . . .
H37A H -0.1034 0.9493 0.3367 0.121 Uiso 1 1 calc R . .
C38 C 0.5753(2) 0.5119(5) 0.1711(2) 0.1005(15) Uani 1 1 d . . .
H38A H 0.6085 0.5716 0.1722 0.121 Uiso 1 1 calc R . .
C39 C 0.0839(2) 1.4067(4) 0.3391(2) 0.0838(12) Uani 1 1 d . . .
H39A H 0.1114 1.4367 0.3175 0.101 Uiso 1 1 calc R . .
H39B H 0.0396 1.4494 0.3181 0.101 Uiso 1 1 calc R . .
C40 C 0.3804(3) 0.0779(5) 0.0902(3) 0.124(2) Uani 1 1 d . C .
H40A H 0.4070 0.1083 0.0677 0.149 Uiso 1 1 calc R . .
H40B H 0.3348 0.1154 0.0690 0.149 Uiso 1 1 calc R . .
C41 C -0.0786(2) 1.1401(6) 0.3476(2) 0.1037(16) Uani 1 1 d . . .
H41A H -0.1150 1.1659 0.3564 0.124 Uiso 1 1 calc R . .
C42 C 0.1165(3) 1.4521(4) 0.4059(2) 0.0950(14) Uani 1 1 d . . .
H42A H 0.1619 1.4135 0.4271 0.114 Uiso 1 1 calc R . .
H42B H 0.0899 1.4223 0.4283 0.114 Uiso 1 1 calc R . .
C43 C 0.3746(3) 0.3915(5) 0.3948(3) 0.1178(18) Uani 1 1 d . . .
H43A H 0.3698 0.4058 0.4345 0.141 Uiso 1 1 calc R . .
H43B H 0.3469 0.3160 0.3728 0.141 Uiso 1 1 calc R . .
C44 C 0.1226(3) 1.6025(4) 0.4103(3) 0.1102(17) Uani 1 1 d . . .
H44A H 0.1559 1.6290 0.3945 0.132 Uiso 1 1 calc R . .
H44B H 0.0788 1.6393 0.3811 0.132 Uiso 1 1 calc R . .
C45 C 0.3618(4) -0.2903(7) 0.0304(4) 0.159(3) Uani 1 1 d . . .
H45A H 0.4018 -0.3196 0.0681 0.191 Uiso 1 1 calc R C .
H45B H 0.3221 -0.3157 0.0373 0.191 Uiso 1 1 calc R . .
C46 C 0.3762(4) -0.0770(6) 0.0883(4) 0.159(3) Uani 1 1 d . . .
H46A H 0.4191 -0.1107 0.1209 0.190 Uiso 1 1 calc R C .
H46B H 0.3404 -0.1028 0.1008 0.190 Uiso 1 1 calc R . .
C47 C 0.3598(7) -0.3579(8) -0.0171(6) 0.237(5) Uani 1 1 d . C .
H47A H 0.4015 -0.3381 -0.0216 0.285 Uiso 1 1 calc R . .
H47B H 0.3222 -0.3233 -0.0554 0.285 Uiso 1 1 calc R . .
C48 C 0.3638(3) -0.1393(5) 0.0309(3) 0.133(2) Uani 1 1 d . C .
H48A H 0.3988 -0.1119 0.0177 0.159 Uiso 1 1 calc R . .
H48B H 0.3202 -0.1078 -0.0015 0.159 Uiso 1 1 calc R . .
C49 C 0.1424(3) 1.6627(5) 0.4736(3) 0.1266(19) Uani 1 1 d . . .
H49A H 0.1886 1.6351 0.5023 0.152 Uiso 1 1 calc R . .
H49B H 0.1118 1.6322 0.4918 0.152 Uiso 1 1 calc R . .
C50 C 0.1397(4) 1.8178(6) 0.4694(3) 0.142(2) Uani 1 1 d . . .
H50A H 0.1734 1.8475 0.4549 0.170 Uiso 1 1 calc R . .
H50B H 0.0949 1.8438 0.4370 0.170 Uiso 1 1 calc R . .
C51 C 0.3265(18) -0.5808(17) -0.0101(11) 0.33(2) Uani 0.50 1 d P C 1
H51E H 0.3389 -0.6587 -0.0264 0.490 Uiso 0.50 1 calc PR C 1
H51D H 0.2777 -0.5692 -0.0314 0.490 Uiso 0.50 1 calc PR C 1
H51F H 0.3408 -0.5898 0.0355 0.490 Uiso 0.50 1 calc PR C 1
C51' C 0.3949(18) -0.5660(17) -0.0085(11) 0.268(18) Uani 0.50 1 d PR C 2
H51A H 0.4251 -0.5109 -0.0186 0.401 Uiso 0.50 1 d PR C 2
H51B H 0.3767 -0.6340 -0.0405 0.401 Uiso 0.50 1 d PR C 2
H51C H 0.4197 -0.6053 0.0332 0.401 Uiso 0.50 1 d PR C 2
C52 C 0.1754(9) 2.0976(13) 0.5057(6) 0.292(8) Uani 1 1 d . . .
H52A H 0.1624 2.1886 0.5034 0.438 Uiso 1 1 calc R . .
H52B H 0.1719 2.0696 0.4644 0.438 Uiso 1 1 calc R . .
H52C H 0.2218 2.0871 0.5376 0.438 Uiso 1 1 calc R . .
N1 N 0.07345(17) 1.2649(3) 0.32839(15) 0.0752(9) Uani 1 1 d . . .
N2 N 0.42471(17) 0.2599(3) 0.16933(15) 0.0747(9) Uani 1 1 d . . .
O4 O 0.35210(15) 0.5078(3) 0.35382(14) 0.0877(9) Uani 1 1 d . . .
O3 O 0.24954(16) 0.4921(3) 0.35404(16) 0.0935(10) Uani 1 1 d . . .
O2 O 0.14290(15) 1.0129(3) 0.14065(15) 0.0863(9) Uani 1 1 d . . .
O1 O 0.24573(16) 1.0320(3) 0.14093(16) 0.0965(10) Uani 1 1 d . . .
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'
O O 0.0106 0.0060 '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
C9 C1 C2 120.1(3) . .
C9 C1 C19 115.5(3) . .
C2 C1 C19 124.3(3) . .
C5 C2 C1 117.3(3) . .
C5 C2 C10 119.6(3) . .
C1 C2 C10 123.1(3) . .
C12 C3 C27 118.3(3) . .
C12 C3 C4 121.7(3) . .
C27 C3 C4 120.0(3) . .
C9 C4 C17 117.3(3) . .
C9 C4 C3 118.9(3) . .
C17 C4 C3 123.8(3) . .
C2 C5 C17 122.7(3) . .
C18 C7 C21 119.6(3) . .
C18 C7 C15 134.1(3) . .
C21 C7 C15 106.4(3) . .
C12 C8 C25 119.6(3) . .
C12 C8 C24 133.7(3) . .
C25 C8 C24 106.6(3) . .
C4 C9 C1 122.2(3) . .
C18 C10 C20 118.9(3) . .
C18 C10 C2 121.2(3) . .
C20 C10 C2 120.0(3) . .
C6 C11 O2 108.0(4) . .
C3 C12 C8 120.3(3) . .
C51 C14 C47 146.6(19) . .
C31 C15 C32 119.4(3) . .
C31 C15 C7 107.5(3) . .
C32 C15 C7 133.0(3) . .
C52 C16 C22 113.4(14) . .
C5 C17 C4 120.3(3) . .
C5 C17 C23 115.9(3) . .
C4 C17 C23 123.8(3) . .
C10 C18 C7 119.9(3) . .
O1 C19 O2 124.8(4) . .
O1 C19 C1 123.3(4) . .
O2 C19 C1 111.9(3) . .
C26 C20 C10 122.6(3) . .
N1 C21 C26 129.0(3) . .
N1 C21 C7 109.5(3) . .
C26 C21 C7 121.6(3) . .
C50 C22 C16 117.8(8) . .
O3 C23 O4 125.1(4) . .
O3 C23 C17 123.0(4) . .
O4 C23 C17 112.0(3) . .
C30 C24 C28 119.7(3) . .
C30 C24 C8 106.8(3) . .
C28 C24 C8 133.5(3) . .
N2 C25 C29 129.5(3) . .
N2 C25 C8 109.1(3) . .
C29 C25 C8 121.4(3) . .
C20 C26 C21 117.5(3) . .
C29 C27 C3 122.8(3) . .
C38 C28 C24 118.3(4) . .
C27 C29 C25 117.5(3) . .
C34 C30 C24 122.5(4) . .
C34 C30 N2 128.3(4) . .
C24 C30 N2 109.2(3) . .
C33 C31 C15 122.7(4) . .
C33 C31 N1 128.4(4) . .
C15 C31 N1 108.8(3) . .
C37 C32 C15 118.1(4) . .
C31 C33 C41 116.9(4) . .
C36 C34 C30 116.7(4) . .
C40 C35 N2 117.0(4) . .
C34 C36 C38 122.1(4) . .
C41 C37 C32 121.6(4) . .
C36 C38 C28 120.7(4) . .
C42 C39 N1 117.2(4) . .
C35 C40 C46 108.3(5) . .
C37 C41 C33 121.3(4) . .
C39 C42 C44 111.9(4) . .
C13 C43 O4 108.1(5) . .
C49 C44 C42 117.5(5) . .
C47 C45 C48 122.3(7) . .
C48 C46 C40 118.0(6) . .
C45 C47 C14 122.6(12) . .
C46 C48 C45 117.3(6) . .
C44 C49 C50 111.7(5) . .
C22 C50 C49 115.1(6) . .
C21 N1 C31 107.8(3) . .
C21 N1 C39 126.3(3) . .
C31 N1 C39 125.9(3) . .
C25 N2 C30 108.3(3) . .
C25 N2 C35 125.4(3) . .
C30 N2 C35 126.3(3) . .
C23 O4 C43 115.7(3) . .
C19 O2 C11 115.7(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C9 1.398(4) .
C1 C2 1.408(5) .
C1 C19 1.495(5) .
C2 C5 1.368(4) .
C2 C10 1.483(4) .
C3 C12 1.383(4) .
C3 C27 1.419(4) .
C3 C4 1.479(4) .
C4 C9 1.380(4) .
C4 C17 1.402(4) .
C5 C17 1.392(4) .
C6 C11 1.384(7) .
C7 C18 1.399(4) .
C7 C21 1.408(4) .
C7 C15 1.439(5) .
C8 C12 1.393(4) .
C8 C25 1.407(4) .
C8 C24 1.446(5) .
C10 C18 1.382(4) .
C10 C20 1.420(4) .
C11 O2 1.469(5) .
C13 C43 1.405(7) .
C14 C51 1.15(3) .
C14 C47 1.357(19) .
C15 C31 1.387(5) .
C15 C32 1.391(5) .
C16 C52 1.276(15) .
C16 C22 1.540(12) .
C17 C23 1.503(5) .
C19 O1 1.197(4) .
C19 O2 1.315(4) .
C20 C26 1.375(4) .
C21 N1 1.379(4) .
C21 C26 1.392(5) .
C22 C50 1.330(9) .
C23 O3 1.192(4) .
C23 O4 1.313(4) .
C24 C30 1.393(5) .
C24 C28 1.393(5) .
C25 N2 1.381(4) .
C25 C29 1.393(5) .
C27 C29 1.373(4) .
C28 C38 1.393(5) .
C30 C34 1.390(5) .
C30 N2 1.396(5) .
C31 C33 1.382(5) .
C31 N1 1.409(5) .
C32 C37 1.390(5) .
C33 C41 1.389(6) .
C34 C36 1.382(6) .
C35 C40 1.445(6) .
C35 N2 1.459(5) .
C36 C38 1.383(6) .
C37 C41 1.370(6) .
C39 C42 1.459(6) .
C39 N1 1.461(5) .
C40 C46 1.575(7) .
C42 C44 1.532(6) .
C43 O4 1.457(5) .
C44 C49 1.461(7) .
C45 C47 1.274(9) .
C45 C48 1.534(8) .
C46 C48 1.377(8) .
C49 C50 1.577(7) .
