#------------------------------------------------------------------------------
#$Date: 2021-03-05 03:47:38 +0200 (Fri, 05 Mar 2021) $
#$Revision: 262581 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/20/7242081.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_7242081
loop_
_publ_author_name
'Xue, Yun-Shan'
'Zhang, Chen'
'Lv, Jun Qing'
'Chen, Ning-Ning'
'Wang, Jun'
'Chen, Xuan-Rong'
'Fan, Liming'
_publ_section_title
;
 Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii)
 coordination polymers based on a pyridinephenyl bifunctional ligand
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1497
_journal_page_last               1506
_journal_paper_doi               10.1039/D0CE01812K
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C34 H25 N5 O6 Zn, H2 O'
_chemical_formula_sum            'C34 H27 N5 O7 Zn'
_chemical_formula_weight         683.00
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2020-03-21 deposited with the CCDC.	2021-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.581(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.679(9)
_cell_length_b                   11.030(6)
_cell_length_c                   18.158(11)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.26
_cell_measurement_theta_min      2.95
_cell_volume                     3065(3)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0758
_diffrn_reflns_av_unetI/netI     0.0522
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            53702
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         3.022
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.875
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         6032
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0872
_refine_ls_R_factor_gt           0.0519
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0452P)²+3.3930P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1103
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4368
_reflns_number_total             6032
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce01812k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7242081--7242084.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7242081
_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_min   0.840
_shelx_estimated_absorpt_t_max   0.868
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_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
Zn1 Zn 0.92908(2) 0.72280(3) 0.37693(2) 0.03137(12) Uani 1 1 d . . . . .
O1 O 0.99254(14) 0.69214(19) 0.29852(13) 0.0410(6) Uani 1 1 d . . . . .
O2 O 1.04607(18) 0.5116(2) 0.33686(19) 0.0729(9) Uani 1 1 d . . . . .
O3 O 1.18461(15) 0.98698(19) 0.24275(15) 0.0469(6) Uani 1 1 d . . . . .
H3 H 1.2040 1.0563 0.2460 0.070 Uiso 1 1 calc R U . . .
O4 O 1.30076(15) 0.9473(2) 0.19400(16) 0.0552(7) Uani 1 1 d . . . . .
O5 O 1.17440(13) 0.3363(2) 0.14680(14) 0.0423(6) Uani 1 1 d . . . . .
O6 O 1.21594(17) 0.2168(2) 0.24582(16) 0.0560(7) Uani 1 1 d . . . . .
O7 O 0.0992(2) 0.2691(3) 0.36684(16) 0.0758(9) Uani 1 1 d . . . . .
H7A H 0.0818 0.3420 0.3593 0.114 Uiso 1 1 d R U . . .
H7B H 0.1305 0.2520 0.3355 0.114 Uiso 1 1 d R U . . .
N5 N 0.01794(15) 0.8277(2) 0.44576(15) 0.0348(6) Uani 1 1 d . . . . .
N1 N 1.41503(16) 0.5282(2) 0.25202(15) 0.0383(7) Uani 1 1 d . . . . .
N2 N 0.88152(15) 0.5905(2) 0.43023(14) 0.0320(6) Uani 1 1 d . . . . .
N3 N 0.79159(16) 0.4959(2) 0.48734(14) 0.0346(6) Uani 1 1 d . . . . .
N4 N 0.12846(16) 0.9526(2) 0.48094(16) 0.0350(6) Uani 1 1 d . . . . .
C1 C 1.0490(2) 0.6076(3) 0.30333(19) 0.0363(8) Uani 1 1 d . . . . .
C2 C 1.12581(18) 0.6342(3) 0.26901(16) 0.0273(7) Uani 1 1 d . . . . .
C3 C 1.14025(19) 0.7527(2) 0.24928(17) 0.0298(7) Uani 1 1 d . . . . .
H3A H 1.0980 0.8116 0.2501 0.036 Uiso 1 1 calc R U . . .
C4 C 1.21752(19) 0.7836(3) 0.22836(17) 0.0303(7) Uani 1 1 d . . . . .
C8 C 1.2392(2) 0.9142(3) 0.21801(18) 0.0342(7) Uani 1 1 d . . . . .
C5 C 1.27802(18) 0.6946(3) 0.22328(17) 0.0283(7) Uani 1 1 d . . . . .
H5 H 1.3289 0.7153 0.2078 0.034 Uiso 1 1 calc R U . . .
C6 C 1.26388(17) 0.5740(3) 0.24109(16) 0.0249(6) Uani 1 1 d . . . . .
C7 C 1.18796(18) 0.5454(3) 0.26538(16) 0.0269(7) Uani 1 1 d . . . . .
H7 H 1.1787 0.4662 0.2793 0.032 Uiso 1 1 calc R U . . .
C9 C 1.33354(18) 0.4829(3) 0.23839(16) 0.0260(6) Uani 1 1 d . . . . .
C13 C 1.4810(2) 0.4522(4) 0.2509(2) 0.0499(10) Uani 1 1 d . . . . .
H13 H 1.5372 0.4841 0.2595 0.060 Uiso 1 1 calc R U . . .
C12 C 1.4710(2) 0.3293(4) 0.2377(2) 0.0515(10) Uani 1 1 d . . . . .
H12 H 1.5189 0.2794 0.2384 0.062 Uiso 1 1 calc R U . . .
C11 C 1.3880(2) 0.2837(3) 0.2236(2) 0.0433(8) Uani 1 1 d . . . . .
H11 H 1.3789 0.2012 0.2147 0.052 Uiso 1 1 calc R U . . .
C10 C 1.31736(18) 0.3596(3) 0.22251(17) 0.0288(7) Uani 1 1 d . . . . .
C14 C 1.2292(2) 0.3010(3) 0.20432(19) 0.0324(7) Uani 1 1 d . . . . .
C16 C 0.9038(2) 0.4699(3) 0.4373(2) 0.0414(8) Uani 1 1 d . . . . .
H16 H 0.9500 0.4342 0.4206 0.050 Uiso 1 1 calc R U . . .
C17 C 0.8487(2) 0.4119(3) 0.4719(2) 0.0462(9) Uani 1 1 d . . . . .
H17 H 0.8494 0.3297 0.4833 0.055 Uiso 1 1 calc R U . . .
C18 C 0.7215(2) 0.4704(4) 0.5266(2) 0.0591(11) Uani 1 1 d . . . . .
H18A H 0.7465 0.4632 0.5803 0.071 Uiso 1 1 calc R U . . .
H18B H 0.6950 0.3932 0.5093 0.071 Uiso 1 1 calc R U . . .
C19 C 0.6514(2) 0.5667(3) 0.5147(2) 0.0461(9) Uani 1 1 d . . . . .
C24 C 0.5836(2) 0.5633(4) 0.4524(2) 0.0522(10) Uani 1 1 d . . . . .
H24 H 0.5836 0.5045 0.4157 0.063 Uiso 1 1 calc R U . . .
C23 C 0.5158(2) 0.6450(4) 0.4432(2) 0.0515(10) Uani 1 1 d . . . . .
H23 H 0.4707 0.6404 0.4005 0.062 Uiso 1 1 calc R U . . .
C22 C 0.5139(2) 0.7347(3) 0.49684(19) 0.0399(8) Uani 1 1 d . . . . .
C21 C 0.5843(2) 0.7400(4) 0.5583(2) 0.0522(10) Uani 1 1 d . . . . .
H21 H 0.5859 0.8004 0.5943 0.063 Uiso 1 1 calc R U . . .
C20 C 0.6520(2) 0.6577(4) 0.5671(2) 0.0531(10) Uani 1 1 d . . . . .
H20 H 0.6984 0.6634 0.6087 0.064 Uiso 1 1 calc R U . . .
C25 C 0.4376(2) 0.8160(3) 0.49086(18) 0.0373(8) Uani 1 1 d . . . . .
C26 C 0.4118(3) 0.8570(5) 0.5535(2) 0.0855(17) Uani 1 1 d . . . . .
H26 H 0.4447 0.8365 0.6009 0.103 Uiso 1 1 calc R U . . .
C27 C 0.3383(3) 0.9281(5) 0.5487(2) 0.0859(17) Uani 1 1 d . . . . .
H27 H 0.3240 0.9554 0.5930 0.103 Uiso 1 1 calc R U . . .
C28 C 0.2865(2) 0.9591(3) 0.48189(19) 0.0373(8) Uani 1 1 d . . . . .
C31 C 0.2037(2) 1.0309(3) 0.4775(2) 0.0453(9) Uani 1 1 d . . . . .
H31A H 0.2124 1.0884 0.5189 0.054 Uiso 1 1 calc R U . . .
H31B H 0.1910 1.0765 0.4307 0.054 Uiso 1 1 calc R U . . .
C33 C 0.1008(2) 0.9202(3) 0.5444(2) 0.0399(8) Uani 1 1 d . . . . .
H33 H 0.1246 0.9454 0.5934 0.048 Uiso 1 1 calc R U . . .
C34 C 0.0323(2) 0.8444(3) 0.52222(19) 0.0369(8) Uani 1 1 d . . . . .
H34 H 0.0001 0.8091 0.5539 0.044 Uiso 1 1 calc R U . . .
C32 C 0.07729(19) 0.8950(3) 0.42269(19) 0.0358(8) Uani 1 1 d . . . . .
H32 H 0.0827 0.9013 0.3728 0.043 Uiso 1 1 calc R U . . .
C29 C 0.3120(3) 0.9199(5) 0.4199(2) 0.0873(17) Uani 1 1 d . . . . .
H29 H 0.2787 0.9407 0.3727 0.105 Uiso 1 1 calc R U . . .
C30 C 0.3858(3) 0.8501(5) 0.4237(2) 0.0879(18) Uani 1 1 d . . . . .
H30 H 0.4006 0.8255 0.3791 0.106 Uiso 1 1 calc R U . . .
C15 C 0.8137(2) 0.6010(3) 0.46123(18) 0.0369(8) Uani 1 1 d . . . . .
H15 H 0.7846 0.6736 0.4645 0.044 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'
Zn Zn 0.2839 1.4301 '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
_geom_angle_publ_flag
O1 Zn1 N2 122.55(10) . . ?
O1 Zn1 O5 117.96(10) . 2_755 ?
N2 Zn1 O5 100.96(10) . 2_755 ?
O1 Zn1 N5 99.17(11) . 1_655 ?
N2 Zn1 N5 113.66(11) . 1_655 ?
O5 Zn1 N5 100.99(10) 2_755 1_655 ?
C1 O1 Zn1 122.5(2) . . ?
C8 O3 H3 109.5 . . ?
C14 O5 Zn1 110.9(2) . 2_745 ?
H7A O7 H7B 108.3 . . ?
C32 N5 C34 105.8(3) . . ?
C32 N5 Zn1 124.1(2) . 1_455 ?
C34 N5 Zn1 130.0(2) . 1_455 ?
C13 N1 C9 118.2(3) . . ?
C15 N2 C16 105.1(3) . . ?
C15 N2 Zn1 124.7(2) . . ?
C16 N2 Zn1 130.0(2) . . ?
C15 N3 C17 106.7(3) . . ?
C15 N3 C18 128.7(3) . . ?
C17 N3 C18 124.6(3) . . ?
C32 N4 C33 107.3(3) . . ?
C32 N4 C31 126.2(3) . . ?
C33 N4 C31 126.4(3) . . ?
O2 C1 O1 124.4(3) . . ?
O2 C1 C2 119.6(3) . . ?
O1 C1 C2 115.9(3) . . ?
C3 C2 C7 119.7(3) . . ?
C3 C2 C1 118.8(3) . . ?
C7 C2 C1 121.0(3) . . ?
C2 C3 C4 120.2(3) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 H3A 119.9 . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 C8 119.7(3) . . ?
C3 C4 C8 120.4(3) . . ?
O4 C8 O3 124.8(3) . . ?
O4 C8 C4 124.1(3) . . ?
O3 C8 C4 111.0(3) . . ?
C4 C5 C6 121.0(3) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 118.6(3) . . ?
C7 C6 C9 122.7(3) . . ?
C5 C6 C9 118.6(2) . . ?
C2 C7 C6 120.7(3) . . ?
C2 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
N1 C9 C10 121.4(3) . . ?
N1 C9 C6 114.6(3) . . ?
C10 C9 C6 124.0(2) . . ?
N1 C13 C12 124.1(3) . . ?
N1 C13 H13 118.0 . . ?
C12 C13 H13 118.0 . . ?
C11 C12 C13 117.6(3) . . ?
C11 C12 H12 121.2 . . ?
C13 C12 H12 121.2 . . ?
C12 C11 C10 120.4(3) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C10 C9 118.4(3) . . ?
C11 C10 C14 116.1(3) . . ?
C9 C10 C14 125.6(2) . . ?
O6 C14 O5 124.0(3) . . ?
O6 C14 C10 117.3(3) . . ?
O5 C14 C10 118.7(3) . . ?
C17 C16 N2 109.2(3) . . ?
C17 C16 H16 125.4 . . ?
N2 C16 H16 125.4 . . ?
C16 C17 N3 107.1(3) . . ?
C16 C17 H17 126.5 . . ?
N3 C17 H17 126.5 . . ?
N3 C18 C19 113.3(3) . . ?
N3 C18 H18A 108.9 . . ?
C19 C18 H18A 108.9 . . ?
N3 C18 H18B 108.9 . . ?
C19 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?
C24 C19 C20 118.4(3) . . ?
C24 C19 C18 120.5(4) . . ?
C20 C19 C18 121.0(4) . . ?
C19 C24 C23 121.4(4) . . ?
C19 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C23 C22 120.9(4) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C21 C22 C23 117.2(3) . . ?
C21 C22 C25 121.5(3) . . ?
C23 C22 C25 121.3(3) . . ?
C20 C21 C22 121.5(4) . . ?
C20 C21 H21 119.2 . . ?
C22 C21 H21 119.2 . . ?
C21 C20 C19 120.5(3) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C26 C25 C30 115.3(3) . . ?
C26 C25 C22 121.4(3) . . ?
C30 C25 C22 123.2(3) . . ?
C25 C26 C27 122.0(4) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
C28 C27 C26 122.1(4) . . ?
C28 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
C29 C28 C27 116.2(3) . . ?
C29 C28 C31 122.2(3) . . ?
C27 C28 C31 121.6(3) . . ?
N4 C31 C28 112.2(3) . . ?
N4 C31 H31A 109.2 . . ?
C28 C31 H31A 109.2 . . ?
N4 C31 H31B 109.2 . . ?
C28 C31 H31B 109.2 . . ?
H31A C31 H31B 107.9 . . ?
C34 C33 N4 106.8(3) . . ?
C34 C33 H33 126.6 . . ?
N4 C33 H33 126.6 . . ?
C33 C34 N5 109.2(3) . . ?
C33 C34 H34 125.4 . . ?
N5 C34 H34 125.4 . . ?
N5 C32 N4 110.9(3) . . ?
N5 C32 H32 124.6 . . ?
N4 C32 H32 124.6 . . ?
C28 C29 C30 122.4(4) . . ?
C28 C29 H29 118.8 . . ?
C30 C29 H29 118.8 . . ?
C25 C30 C29 121.9(4) . . ?
C25 C30 H30 119.0 . . ?
C29 C30 H30 119.0 . . ?
N2 C15 N3 112.0(3) . . ?
N2 C15 H15 124.0 . . ?
N3 C15 H15 124.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O1 1.936(2) . ?
Zn1 N2 1.984(3) . ?
Zn1 O5 2.020(2) 2_755 ?
Zn1 N5 2.021(3) 1_655 ?
O1 C1 1.275(4) . ?
O2 C1 1.228(4) . ?
O3 C8 1.322(4) . ?
O3 H3 0.8200 . ?
O4 C8 1.199(4) . ?
O5 C14 1.261(4) . ?
O5 Zn1 2.020(2) 2_745 ?
O6 C14 1.242(4) . ?
O7 H7A 0.8500 . ?
O7 H7B 0.8499 . ?
N5 C32 1.327(4) . ?
N5 C34 1.370(4) . ?
N5 Zn1 2.021(3) 1_455 ?
N1 C13 1.335(4) . ?
N1 C9 1.344(4) . ?
N2 C15 1.312(4) . ?
N2 C16 1.374(4) . ?
N3 C15 1.327(4) . ?
N3 C17 1.360(4) . ?
N3 C18 1.462(4) . ?
N4 C32 1.340(4) . ?
N4 C33 1.364(4) . ?
N4 C31 1.474(4) . ?
C1 C2 1.501(4) . ?
C2 C3 1.387(4) . ?
C2 C7 1.393(4) . ?
C3 C4 1.389(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.382(4) . ?
C4 C8 1.502(4) . ?
C5 C6 1.398(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.393(4) . ?
C6 C9 1.493(4) . ?
C7 H7 0.9300 . ?
C9 C10 1.402(4) . ?
C13 C12 1.380(5) . ?
C13 H13 0.9300 . ?
C12 C11 1.366(5) . ?
C12 H12 0.9300 . ?
C11 C10 1.385(4) . ?
C11 H11 0.9300 . ?
C10 C14 1.495(4) . ?
C16 C17 1.337(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.510(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C24 1.373(5) . ?
C19 C20 1.382(5) . ?
C24 C23 1.376(5) . ?
C24 H24 0.9300 . ?
C23 C22 1.393(5) . ?
C23 H23 0.9300 . ?
C22 C21 1.389(5) . ?
C22 C25 1.480(5) . ?
C21 C20 1.379(5) . ?
C21 H21 0.9300 . ?
C20 H20 0.9300 . ?
C25 C26 1.365(5) . ?
C25 C30 1.363(5) . ?
C26 C27 1.381(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.349(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.345(5) . ?
C28 C31 1.508(4) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C33 C34 1.352(5) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C32 H32 0.9300 . ?
C29 C30 1.379(6) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C15 H15 0.9300 . ?
