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#$Date: 2017-06-28 06:21:36 +0300 (Wed, 28 Jun 2017) $
#$Revision: 198189 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/34/7043456.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_7043456
loop_
_publ_author_name
'Naskar, Barnali'
'Modak, Ritwik'
'Maiti, Dilip K.'
'Drew, Michael G.B'
'Bauza, Antonio'
'Frontera, Antonio'
'Das Mukhopadhyay, Chitrangada'
'Mishra, Snehasis'
'Das Saha, Krishna'
'Goswami, Sanchita'
_publ_section_title
;
 A Schiff base platform: structures, sensing of Zn(II), PPi in aqueous
 medium and anticancer activity
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01932G
_journal_year                    2017
_chemical_formula_sum            'C40 H46 Cd3 N8 O14'
_chemical_formula_weight         1200.05
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-06-19 deposited with the CCDC.
2017-06-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.738(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.4096(8)
_cell_length_b                   12.5242(4)
_cell_length_c                   16.1728(7)
_cell_measurement_reflns_used    14694
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      3.45
_cell_volume                     4346.8(3)
_computing_cell_refinement       'Crysalis, Oxford Diffraction'
_computing_data_collection       'Crysalis, Oxford Diffraction'
_computing_data_reduction        'Crysalis, Oxford Diffraction'
_computing_molecular_graphics    PLATON(Spek,2004)
_computing_publication_material  'SHELXL, PLATON, WINGX (Ferrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Oxford Diffaction X-Calibor System'
_diffrn_measurement_method       '321 frames, counting time 10 s.'
_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  0.0252
_diffrn_reflns_av_unetI/netI     0.0344
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            14694
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.996
_diffrn_reflns_theta_min         3.451
_diffrn_standards_decay_%        n/a
_diffrn_standards_interval_count n/a
_diffrn_standards_interval_time  n/a
_exptl_absorpt_coefficient_mu    1.531
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSPACK, Oxford Diffraction Ltd'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_description       block
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_diff_density_max         3.460
_refine_diff_density_min         -1.885
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         6284
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0302P)²+27.1001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.0993
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5480
_reflns_number_total             6284
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt01932g2.cif
_cod_data_source_block           Complex2
_cod_database_code               7043456
_shelx_shelxl_version_number     2016/6
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Cd1 Cd 0.500000 0.29097(3) 0.250000 0.02280(9) Uani 1 2 d S T P
Cd2 Cd 0.66575(2) 0.35277(2) 0.28519(2) 0.02766(8) Uani 1 1 d . . .
O1 O 0.56743(12) 0.4049(2) 0.22436(17) 0.0281(5) Uani 1 1 d . . .
C1 C 0.54728(16) 0.4973(3) 0.1886(2) 0.0252(7) Uani 1 1 d . . .
C2 C 0.49274(16) 0.4978(3) 0.1173(2) 0.0275(7) Uani 1 1 d . . .
O3 O 0.46827(13) 0.3990(2) 0.09614(17) 0.0324(6) Uani 1 1 d . . .
C19 C 0.41139(19) 0.3918(4) 0.0283(3) 0.0401(10) Uani 1 1 d . . .
H19A H 0.379824 0.432939 0.043202 0.060 Uiso 1 1 calc R U .
H19B H 0.398488 0.318550 0.020059 0.060 Uiso 1 1 calc R U .
H19C H 0.417528 0.419235 -0.024095 0.060 Uiso 1 1 calc R U .
C3 C 0.4690(2) 0.5916(4) 0.0770(3) 0.0392(10) Uani 1 1 d . . .
H3 H 0.433912 0.590872 0.029244 0.047 Uiso 1 1 calc R U .
C4 C 0.4983(2) 0.6886(4) 0.1084(4) 0.0505(13) Uani 1 1 d . . .
H4 H 0.482722 0.752328 0.081187 0.061 Uiso 1 1 calc R U .
C5 C 0.5493(2) 0.6895(3) 0.1787(4) 0.0441(11) Uani 1 1 d . . .
H5 H 0.567281 0.754537 0.200096 0.053 Uiso 1 1 calc R U .
C6 C 0.57560(18) 0.5949(3) 0.2198(3) 0.0303(8) Uani 1 1 d . . .
C7 C 0.63165(19) 0.6024(3) 0.2932(3) 0.0353(9) Uani 1 1 d . . .
H7 H 0.642439 0.670469 0.315498 0.042 Uiso 1 1 calc R U .
N1 N 0.66728(15) 0.5272(3) 0.3300(2) 0.0332(7) Uani 1 1 d . . .
C8 C 0.7261(2) 0.5535(4) 0.3946(3) 0.0432(11) Uani 1 1 d . . .
H8A H 0.730700 0.510855 0.446144 0.052 Uiso 1 1 calc R U .
H8B H 0.726310 0.628246 0.410408 0.052 Uiso 1 1 calc R U .
C9 C 0.77915(19) 0.5312(4) 0.3575(3) 0.0403(10) Uani 1 1 d . . .
H9A H 0.777482 0.581051 0.310971 0.048 Uiso 1 1 calc R U .
H9B H 0.818366 0.541803 0.401780 0.048 Uiso 1 1 calc R U .
N2 N 0.77639(17) 0.4205(3) 0.3241(2) 0.0386(8) Uani 1 1 d D . .
H2 H 0.784(2) 0.416(4) 0.2744(19) 0.046 Uiso 1 1 d D U .
C10 C 0.81425(19) 0.3446(4) 0.3853(3) 0.0444(11) Uani 1 1 d . . .
H10A H 0.806925 0.352262 0.441261 0.053 Uiso 1 1 calc R U .
H10B H 0.858147 0.356682 0.392030 0.053 Uiso 1 1 calc R U .
C11 C 0.79564(18) 0.2354(4) 0.3496(3) 0.0403(10) Uani 1 1 d . . .
H11A H 0.799639 0.230560 0.291596 0.048 Uiso 1 1 calc R U .
H11B H 0.822984 0.182531 0.385150 0.048 Uiso 1 1 calc R U .
N3 N 0.73104(14) 0.2137(3) 0.3480(2) 0.0307(7) Uani 1 1 d . . .
C12 C 0.71926(18) 0.1185(3) 0.3671(2) 0.0312(8) Uani 1 1 d . . .
H12 H 0.753046 0.071998 0.381730 0.037 Uiso 1 1 calc R U .
C13 C 0.66053(18) 0.0740(3) 0.3689(2) 0.0293(7) Uani 1 1 d . . .
C14 C 0.6622(2) -0.0333(3) 0.3952(3) 0.0389(9) Uani 1 1 d . . .
H14 H 0.699579 -0.070592 0.407281 0.047 Uiso 1 1 calc R U .
C15 C 0.6105(2) -0.0838(4) 0.4033(4) 0.0505(12) Uani 1 1 d . . .
H15 H 0.612315 -0.155199 0.419522 0.061 Uiso 1 1 calc R U .
C16 C 0.5544(2) -0.0270(4) 0.3869(3) 0.0456(11) Uani 1 1 d . . .
H16 H 0.518853 -0.060633 0.392998 0.055 Uiso 1 1 calc R U .
C17 C 0.55169(18) 0.0780(3) 0.3620(3) 0.0312(8) Uani 1 1 d . . .
C18 C 0.60422(17) 0.1317(3) 0.3491(2) 0.0253(7) Uani 1 1 d . . .
O2 O 0.59761(11) 0.2298(2) 0.32017(17) 0.0270(5) Uani 1 1 d . . .
O4 O 0.49890(13) 0.1396(2) 0.3457(2) 0.0365(7) Uani 1 1 d . . .
C20 C 0.4458(2) 0.0968(4) 0.3654(4) 0.0492(12) Uani 1 1 d . . .
H20A H 0.457693 0.071681 0.423921 0.074 Uiso 1 1 calc R U .
H20B H 0.429356 0.038527 0.327039 0.074 Uiso 1 1 calc R U .
H20C H 0.414671 0.151311 0.358437 0.074 Uiso 1 1 calc R U .
N4 N 0.67675(15) 0.3395(3) 0.1078(2) 0.0348(8) Uani 1 1 d . . .
O5C O 0.67510(18) 0.2674(3) 0.1603(2) 0.0486(8) Uani 1 1 d . . .
O6C O 0.67604(18) 0.4321(3) 0.1313(3) 0.0604(10) Uani 1 1 d . . .
O7C O 0.6789(2) 0.3164(4) 0.0349(2) 0.0782(14) 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'
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'
Cd Cd -0.8075 1.2024 '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
O1 Cd1 O1 99.27(14) . 2_655
O1 Cd1 O2 137.18(9) . 2_655
O1 Cd1 O2 72.56(9) 2_655 2_655
O1 Cd1 O2 72.56(9) . .
O1 Cd1 O2 137.18(9) 2_655 .
O2 Cd1 O2 140.87(12) 2_655 .
O1 Cd1 O4 104.48(10) . 2_655
O1 Cd1 O4 138.74(9) 2_655 2_655
O2 Cd1 O4 67.03(9) 2_655 2_655
O2 Cd1 O4 82.66(10) . 2_655
O1 Cd1 O4 138.74(9) . .
O1 Cd1 O4 104.47(10) 2_655 .
O2 Cd1 O4 82.66(10) 2_655 .
O2 Cd1 O4 67.04(9) . .
O4 Cd1 O4 78.69(15) 2_655 .
O1 Cd1 O3 61.45(9) . .
O1 Cd1 O3 80.71(9) 2_655 .
O2 Cd1 O3 75.74(9) 2_655 .
O2 Cd1 O3 125.24(9) . .
O4 Cd1 O3 81.70(10) 2_655 .
O4 Cd1 O3 155.18(10) . .
O1 Cd1 O3 80.71(9) . 2_655
O1 Cd1 O3 61.45(9) 2_655 2_655
O2 Cd1 O3 125.24(9) 2_655 2_655
O2 Cd1 O3 75.73(9) . 2_655
O4 Cd1 O3 155.18(10) 2_655 2_655
O4 Cd1 O3 81.70(10) . 2_655
O3 Cd1 O3 120.85(12) . 2_655
O1 Cd1 Cd2 123.51(7) . 2_655
O1 Cd1 Cd2 34.41(6) 2_655 2_655
O2 Cd1 Cd2 38.18(6) 2_655 2_655
O2 Cd1 Cd2 158.00(7) . 2_655
O4 Cd1 Cd2 104.98(7) 2_655 2_655
O4 Cd1 Cd2 93.86(6) . 2_655
O3 Cd1 Cd2 76.64(6) . 2_655
O3 Cd1 Cd2 91.32(6) 2_655 2_655
O1 Cd1 Cd2 34.42(6) . .
O1 Cd1 Cd2 123.51(7) 2_655 .
O2 Cd1 Cd2 158.00(7) 2_655 .
O2 Cd1 Cd2 38.18(6) . .
O4 Cd1 Cd2 93.86(6) 2_655 .
O4 Cd1 Cd2 104.98(7) . .
O3 Cd1 Cd2 91.32(6) . .
O3 Cd1 Cd2 76.64(6) 2_655 .
Cd2 Cd1 Cd2 155.680(13) 2_655 .
O1 Cd2 N1 77.57(11) . .
O1 Cd2 N3 146.25(10) . .
N1 Cd2 N3 128.83(12) . .
O1 Cd2 O5C 94.31(12) . .
N1 Cd2 O5C 135.01(12) . .
N3 Cd2 O5C 80.38(12) . .
O1 Cd2 O2 70.78(9) . .
N1 Cd2 O2 119.90(10) . .
N3 Cd2 O2 76.92(10) . .
O5C Cd2 O2 97.70(11) . .
O1 Cd2 N2 141.69(11) . .
N1 Cd2 N2 71.18(12) . .
N3 Cd2 N2 72.05(12) . .
O5C Cd2 N2 92.45(13) . .
O2 Cd2 N2 145.15(11) . .
O1 Cd2 O6C 79.93(11) . .
N1 Cd2 O6C 86.83(12) . .
N3 Cd2 O6C 117.52(11) . .
O5C Cd2 O6C 48.27(11) . .
O2 Cd2 O6C 133.18(11) . .
N2 Cd2 O6C 76.80(12) . .
O1 Cd2 Cd1 33.83(6) . .
N1 Cd2 Cd1 99.88(8) . .
N3 Cd2 Cd1 113.13(8) . .
O5C Cd2 Cd1 96.18(9) . .
O2 Cd2 Cd1 36.98(6) . .
N2 Cd2 Cd1 170.57(9) . .
O6C Cd2 Cd1 106.28(8) . .
C1 O1 Cd1 119.1(2) . .
C1 O1 Cd2 128.4(2) . .
Cd1 O1 Cd2 111.76(11) . .
O1 C1 C6 123.1(3) . .
O1 C1 C2 117.9(3) . .
C6 C1 C2 118.9(3) . .
O3 C2 C3 125.9(4) . .
O3 C2 C1 113.1(3) . .
C3 C2 C1 121.0(4) . .
C2 O3 C19 117.3(3) . .
C2 O3 Cd1 103.9(2) . .
C19 O3 Cd1 127.5(2) . .
O3 C19 H19A 109.5 . .
O3 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O3 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C2 C3 C4 119.4(4) . .
C2 C3 H3 120.3 . .
C4 C3 H3 120.3 . .
C5 C4 C3 120.2(4) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 121.7(4) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C5 C6 C1 118.8(4) . .
C5 C6 C7 118.4(4) . .
C1 C6 C7 122.8(4) . .
N1 C7 C6 127.7(4) . .
N1 C7 H7 116.1 . .
C6 C7 H7 116.1 . .
C7 N1 C8 119.0(4) . .
C7 N1 Cd2 127.4(3) . .
C8 N1 Cd2 111.6(3) . .
N1 C8 C9 109.0(3) . .
N1 C8 H8A 109.9 . .
C9 C8 H8A 109.9 . .
N1 C8 H8B 109.9 . .
C9 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
N2 C9 C8 111.4(4) . .
N2 C9 H9A 109.4 . .
C8 C9 H9A 109.4 . .
N2 C9 H9B 109.4 . .
C8 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
C10 N2 C9 114.1(4) . .
C10 N2 Cd2 106.7(3) . .
C9 N2 Cd2 109.9(3) . .
C10 N2 H2 111(4) . .
C9 N2 H2 114(4) . .
Cd2 N2 H2 101(3) . .
N2 C10 C11 107.0(4) . .
N2 C10 H10A 110.3 . .
C11 C10 H10A 110.3 . .
N2 C10 H10B 110.3 . .
C11 C10 H10B 110.3 . .
H10A C10 H10B 108.6 . .
N3 C11 C10 109.9(4) . .
N3 C11 H11A 109.7 . .
C10 C11 H11A 109.7 . .
N3 C11 H11B 109.7 . .
C10 C11 H11B 109.7 . .
H11A C11 H11B 108.2 . .
C12 N3 C11 116.1(3) . .
C12 N3 Cd2 131.3(3) . .
C11 N3 Cd2 111.4(3) . .
N3 C12 C13 128.4(4) . .
N3 C12 H12 115.8 . .
C13 C12 H12 115.8 . .
C14 C13 C18 120.2(4) . .
C14 C13 C12 115.6(4) . .
C18 C13 C12 124.2(3) . .
C15 C14 C13 121.7(4) . .
C15 C14 H14 119.2 . .
C13 C14 H14 119.2 . .
C14 C15 C16 119.3(4) . .
C14 C15 H15 120.4 . .
C16 C15 H15 120.4 . .
C17 C16 C15 120.1(4) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 O4 123.9(4) . .
C16 C17 C18 121.9(4) . .
O4 C17 C18 114.2(3) . .
O2 C18 C13 124.4(3) . .
O2 C18 C17 118.9(3) . .
C13 C18 C17 116.7(3) . .
C18 O2 Cd1 119.1(2) . .
C18 O2 Cd2 133.4(2) . .
Cd1 O2 Cd2 104.84(10) . .
C17 O4 C20 118.4(3) . .
C17 O4 Cd1 113.0(2) . .
C20 O4 Cd1 126.4(3) . .
O4 C20 H20A 109.5 . .
O4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O6C N4 O7C 122.0(4) . .
O6C N4 O5C 118.0(4) . .
O7C N4 O5C 120.0(4) . .
N4 O5C Cd2 106.5(3) . .
N4 O6C Cd2 87.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.203(2) .
Cd1 O1 2.203(2) 2_655
Cd1 O2 2.287(2) 2_655
Cd1 O2 2.287(2) .
Cd1 O4 2.451(3) 2_655
Cd1 O4 2.451(3) .
Cd1 O3 2.740(3) .
Cd1 O3 2.740(3) 2_655
Cd1 Cd2 3.6745(3) 2_655
Cd1 Cd2 3.6745(3) .
Cd2 O1 2.236(2) .
Cd2 N1 2.299(3) .
Cd2 N3 2.313(3) .
Cd2 O5C 2.347(3) .
Cd2 O2 2.350(2) .
Cd2 N2 2.523(4) .
Cd2 O6C 2.751(4) .
O1 C1 1.314(4) .
C1 C6 1.403(5) .
C1 C2 1.419(5) .
C2 O3 1.357(5) .
C2 C3 1.375(5) .
O3 C19 1.425(4) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C3 C4 1.404(7) .
C3 H3 0.9300 .
C4 C5 1.361(7) .
C4 H4 0.9300 .
C5 C6 1.402(6) .
C5 H5 0.9300 .
C6 C7 1.462(6) .
C7 N1 1.267(6) .
C7 H7 0.9300 .
N1 C8 1.464(5) .
C8 C9 1.505(6) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N2 1.482(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
N2 C10 1.457(6) .
N2 H2 0.869(19) .
C10 C11 1.496(7) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N3 1.465(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
N3 C12 1.279(5) .
C12 C13 1.437(5) .
C12 H12 0.9300 .
C13 C14 1.406(6) .
C13 C18 1.409(5) .
C14 C15 1.359(7) .
C14 H14 0.9300 .
C15 C16 1.402(6) .
C15 H15 0.9300 .
C16 C17 1.372(6) .
C16 H16 0.9300 .
C17 O4 1.373(5) .
C17 C18 1.422(5) .
C18 O2 1.309(4) .
O4 C20 1.422(5) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
N4 O6C 1.223(5) .
N4 O7C 1.228(5) .
N4 O5C 1.247(4) .
