#------------------------------------------------------------------------------
#$Date: 2016-06-30 09:02:00 +0200 (jue 30 de jun de 2016) $
#$Revision: 184070 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/57/7225760.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_7225760
loop_
_publ_author_name
'kang, zhenhui'
'Li, Kaixuan'
'hu, hai liang'
'Liu, Beibei'
'Lin, Xiaoling'
'Huang, Hui'
'liu, yang'
_publ_section_title
;
 Coordinate-polymerized organic ligand towards efficient catalyst for
 selective hydrocarbons oxidation
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA12422D
_journal_year                    2016
_chemical_formula_moiety         'C35 H30 Co N4 O6'
_chemical_formula_sum            'C35 H30 Co N4 O6'
_chemical_formula_weight         661.56
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_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
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-05-04 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 126.581(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4940(17)
_cell_length_b                   15.187(2)
_cell_length_c                   20.2212(19)
_cell_measurement_reflns_used    3167
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.70
_cell_measurement_theta_min      2.43
_cell_volume                     3081.1(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15813
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.611
_exptl_absorpt_correction_T_max  0.9414
_exptl_absorpt_correction_T_min  0.9140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5433
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0725P)²+0.3258P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                3975
_reflns_number_total             5433
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra12422d2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7225760
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
Co1 Co 0.18056(3) 0.33569(2) 0.30769(2) 0.03249(14) Uani 1 1 d U
O1 O 0.3128(2) 0.22791(14) 0.33654(12) 0.0485(5) Uani 1 1 d .
O2 O 0.30662(19) 0.28377(14) 0.43355(12) 0.0454(5) Uani 1 1 d .
O3 O 0.6305(2) 0.07407(16) 0.52029(13) 0.0599(6) Uani 1 1 d .
O4 O 0.0163(2) 0.24907(14) 0.23927(12) 0.0491(5) Uani 1 1 d U
O5 O 0.05834(19) 0.33648(14) 0.17167(12) 0.0454(5) Uani 1 1 d .
O6 O -0.3060(2) 0.15683(16) 0.01447(14) 0.0623(7) Uani 1 1 d .
N1 N 0.3146(2) 0.43124(14) 0.32359(13) 0.0311(5) Uani 1 1 d .
N2 N 0.0638(2) 0.42509(15) 0.32015(14) 0.0370(5) Uani 1 1 d .
N3 N 0.6135(3) 0.0870(2) 0.58272(16) 0.0584(8) Uani 1 1 d .
N4 N -0.2691(3) 0.1874(2) -0.03502(16) 0.0584(8) Uani 1 1 d .
C1 C 0.2902(3) 0.47873(19) 0.26004(16) 0.0364(6) Uani 1 1 d .
H1A H 0.2074 0.4731 0.2093 0.044 Uiso 1 1 calc R
C2 C 0.3813(3) 0.53515(19) 0.26610(17) 0.0392(7) Uani 1 1 d .
H2A H 0.3587 0.5674 0.2203 0.047 Uiso 1 1 calc R
C3 C 0.5069(3) 0.54441(17) 0.34003(18) 0.0351(6) Uani 1 1 d .
C4 C 0.5297(3) 0.4967(2) 0.40536(18) 0.0453(8) Uani 1 1 d .
H4A H 0.6114 0.5017 0.4568 0.054 Uiso 1 1 calc R
C5 C 0.4339(3) 0.4419(2) 0.39569(17) 0.0423(7) Uani 1 1 d .
H5A H 0.4528 0.4110 0.4412 0.051 Uiso 1 1 calc R
C6 C 0.0995(3) 0.4478(2) 0.39464(18) 0.0453(7) Uani 1 1 d .
H6A H 0.1780 0.4246 0.4406 0.054 Uiso 1 1 calc R
C7 C 0.0266(3) 0.5035(2) 0.40695(18) 0.0471(8) Uani 1 1 d .
H7A H 0.0565 0.5169 0.4603 0.057 Uiso 1 1 calc R
C8 C -0.0908(3) 0.53988(19) 0.34089(18) 0.0382(7) Uani 1 1 d .
C9 C -0.1272(3) 0.5168(2) 0.26373(19) 0.0543(9) Uani 1 1 d .
H9A H -0.2050 0.5395 0.2168 0.065 Uiso 1 1 calc R
C10 C -0.0488(3) 0.4605(2) 0.25614(19) 0.0526(8) Uani 1 1 d .
H10A H -0.0759 0.4465 0.2035 0.063 Uiso 1 1 calc R
C11 C -0.1787(3) 0.5965(2) 0.35097(19) 0.0437(7) Uani 1 1 d .
H11A H -0.2189 0.6421 0.3091 0.052 Uiso 1 1 calc R
H11B H -0.1250 0.6251 0.4044 0.052 Uiso 1 1 calc R
C12 C -0.2890(3) 0.54264(19) 0.34381(19) 0.0394(7) Uani 1 1 d .
H12A H -0.3387 0.5112 0.2918 0.047 Uiso 1 1 calc R
H12B H -0.2482 0.4992 0.3876 0.047 Uiso 1 1 calc R
C13 C -0.3852(3) 0.59844(19) 0.3487(2) 0.0434(7) Uani 1 1 d .
H13A H -0.3362 0.6290 0.4011 0.052 Uiso 1 1 calc R
H13B H -0.4253 0.6425 0.3054 0.052 Uiso 1 1 calc R
C14 C 0.3537(3) 0.22842(19) 0.41078(17) 0.0362(6) Uani 1 1 d .
C15 C 0.4590(3) 0.16542(18) 0.46850(16) 0.0363(6) Uani 1 1 d .
C16 C 0.5360(3) 0.1210(2) 0.45336(18) 0.0453(7) Uani 1 1 d .
C17 C 0.5126(3) 0.1411(2) 0.55205(17) 0.0405(7) Uani 1 1 d .
C18 C 0.4696(3) 0.16147(19) 0.60419(18) 0.0424(7) Uani 1 1 d .
C19 C 0.5650(4) 0.1695(2) 0.68940(19) 0.0537(8) Uani 1 1 d .
H19A H 0.6553 0.1672 0.7124 0.064 Uiso 1 1 calc R
C20 C 0.5244(5) 0.1810(2) 0.7398(2) 0.0650(11) Uani 1 1 d .
H20A H 0.5880 0.1860 0.7965 0.078 Uiso 1 1 calc R
C21 C 0.3930(5) 0.1850(2) 0.7071(2) 0.0655(11) Uani 1 1 d .
H21A H 0.3670 0.1932 0.7413 0.079 Uiso 1 1 calc R
C22 C 0.2981(4) 0.1769(2) 0.6234(2) 0.0625(10) Uani 1 1 d .
H22A H 0.2081 0.1789 0.6012 0.075 Uiso 1 1 calc R
C23 C 0.3360(3) 0.1657(2) 0.5720(2) 0.0515(8) Uani 1 1 d .
H23A H 0.2712 0.1610 0.5155 0.062 Uiso 1 1 calc R
C24 C 0.5396(3) 0.1120(3) 0.3817(2) 0.0595(9) Uani 1 1 d .
H24A H 0.6116 0.0737 0.3959 0.089 Uiso 1 1 calc R
H24B H 0.5526 0.1688 0.3668 0.089 Uiso 1 1 calc R
H24C H 0.4569 0.0875 0.3360 0.089 Uiso 1 1 calc R
C25 C -0.0102(3) 0.27708(19) 0.17216(17) 0.0374(7) Uani 1 1 d .
C26 C -0.1257(3) 0.23763(17) 0.09512(16) 0.0332(6) Uani 1 1 d .
C27 C -0.2181(3) 0.1872(2) 0.09155(18) 0.0439(7) Uani 1 1 d .
C28 C -0.1634(3) 0.23598(19) 0.01297(16) 0.0383(7) Uani 1 1 d .
C29 C -0.1061(3) 0.2770(2) -0.02601(16) 0.0418(7) Uani 1 1 d .
C30 C -0.0902(4) 0.2272(3) -0.0770(2) 0.0623(10) Uani 1 1 d .
H30A H -0.1094 0.1673 -0.0831 0.075 Uiso 1 1 calc R
C31 C -0.0465(4) 0.2651(3) -0.1189(2) 0.0764(12) Uani 1 1 d .
H31A H -0.0346 0.2306 -0.1520 0.092 Uiso 1 1 calc R
C32 C -0.0208(4) 0.3526(3) -0.1119(2) 0.0719(12) Uani 1 1 d .
H32A H 0.0089 0.3782 -0.1401 0.086 Uiso 1 1 calc R
C33 C -0.0386(4) 0.4031(3) -0.0633(2) 0.0830(13) Uani 1 1 d .
H33A H -0.0230 0.4634 -0.0598 0.100 Uiso 1 1 calc R
C34 C -0.0799(4) 0.3656(3) -0.0189(2) 0.0636(10) Uani 1 1 d .
H34A H -0.0894 0.4002 0.0152 0.076 Uiso 1 1 calc R
C35 C -0.2440(4) 0.1586(3) 0.1509(2) 0.0653(10) Uani 1 1 d .
H35A H -0.3216 0.1216 0.1233 0.098 Uiso 1 1 calc R
H35B H -0.2586 0.2093 0.1729 0.098 Uiso 1 1 calc R
H35C H -0.1685 0.1263 0.1949 0.098 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
H H 0.0000 0.0000 '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 Co1 O4 155.30(8) . .
N1 Co1 N2 94.72(9) . .
O4 Co1 N2 90.44(9) . .
N1 Co1 O1 94.09(8) . .
O4 Co1 O1 89.62(9) . .
N2 Co1 O1 158.70(9) . .
N1 Co1 O2 96.64(8) . .
O4 Co1 O2 106.35(8) . .
N2 Co1 O2 99.32(8) . .
O1 Co1 O2 60.37(7) . .
N1 Co1 O5 94.80(8) . .
O4 Co1 O5 60.55(7) . .
N2 Co1 O5 97.51(8) . .
O1 Co1 O5 101.04(8) . .
O2 Co1 O5 158.76(8) . .
N1 Co1 C25 124.83(9) . .
O4 Co1 C25 30.50(8) . .
N2 Co1 C25 94.87(9) . .
O1 Co1 C25 95.94(9) . .
O2 Co1 C25 134.73(9) . .
O5 Co1 C25 30.05(8) . .
N1 Co1 C14 96.19(8) . .
O4 Co1 C14 99.19(9) . .
N2 Co1 C14 129.18(9) . .
O1 Co1 C14 30.25(8) . .
O2 Co1 C14 30.12(8) . .
O5 Co1 C14 130.60(9) . .
C25 Co1 C14 117.90(9) . .
C14 O1 Co1 91.09(18) . .
C14 O2 Co1 89.12(16) . .
C16 O3 N3 108.3(2) . .
C25 O4 Co1 91.36(17) . .
C25 O5 Co1 87.40(16) . .
C27 O6 N4 108.9(2) . .
C5 N1 C1 116.7(2) . .
C5 N1 Co1 121.51(19) . .
C1 N1 Co1 121.49(17) . .
C10 N2 C6 116.1(3) . .
C10 N2 Co1 123.2(2) . .
C6 N2 Co1 120.64(19) . .
C17 N3 O3 106.2(2) . .
C28 N4 O6 105.8(2) . .
N1 C1 C2 123.3(2) . .
N1 C1 H1A 118.4 . .
C2 C1 H1A 118.4 . .
C1 C2 C3 120.4(3) . .
C1 C2 H2A 119.8 . .
C3 C2 H2A 119.8 . .
C4 C3 C2 115.8(2) . .
C4 C3 C13 121.3(3) . 1_655
C2 C3 C13 122.9(3) . 1_655
C5 C4 C3 121.1(3) . .
C5 C4 H4A 119.4 . .
C3 C4 H4A 119.4 . .
N1 C5 C4 122.7(3) . .
N1 C5 H5A 118.6 . .
C4 C5 H5A 118.6 . .
N2 C6 C7 123.6(3) . .
N2 C6 H6A 118.2 . .
C7 C6 H6A 118.2 . .
C6 C7 C8 120.6(3) . .
C6 C7 H7A 119.7 . .
C8 C7 H7A 119.7 . .
C7 C8 C9 115.8(3) . .
C7 C8 C11 122.6(3) . .
C9 C8 C11 121.5(3) . .
C10 C9 C8 120.4(3) . .
C10 C9 H9A 119.8 . .
C8 C9 H9A 119.8 . .
N2 C10 C9 123.5(3) . .
N2 C10 H10A 118.2 . .
C9 C10 H10A 118.2 . .
C8 C11 C12 111.7(2) . .
C8 C11 H11A 109.3 . .
C12 C11 H11A 109.3 . .
C8 C11 H11B 109.3 . .
C12 C11 H11B 109.3 . .
H11A C11 H11B 107.9 . .
C13 C12 C11 113.4(2) . .
C13 C12 H12A 108.9 . .
C11 C12 H12A 108.9 . .
C13 C12 H12B 108.9 . .
C11 C12 H12B 108.9 . .
H12A C12 H12B 107.7 . .
C3 C13 C12 112.2(2) 1_455 .
C3 C13 H13A 109.2 1_455 .
C12 C13 H13A 109.2 . .
C3 C13 H13B 109.2 1_455 .
C12 C13 H13B 109.2 . .
H13A C13 H13B 107.9 . .
O2 C14 O1 119.4(3) . .
O2 C14 C15 122.3(3) . .
O1 C14 C15 118.3(3) . .
O2 C14 Co1 60.77(14) . .
O1 C14 Co1 58.66(14) . .
C15 C14 Co1 176.4(2) . .
C16 C15 C17 104.0(2) . .
C16 C15 C14 124.4(3) . .
C17 C15 C14 131.5(3) . .
C15 C16 O3 110.6(3) . .
C15 C16 C24 135.1(3) . .
O3 C16 C24 114.3(3) . .
N3 C17 C15 110.9(3) . .
N3 C17 C18 116.8(3) . .
C15 C17 C18 132.1(3) . .
C23 C18 C19 118.5(3) . .
C23 C18 C17 121.7(3) . .
C19 C18 C17 119.6(3) . .
C20 C19 C18 119.8(3) . .
C20 C19 H19A 120.1 . .
C18 C19 H19A 120.1 . .
C21 C20 C19 120.8(3) . .
C21 C20 H20A 119.6 . .
C19 C20 H20A 119.6 . .
C20 C21 C22 120.0(4) . .
C20 C21 H21A 120.0 . .
C22 C21 H21A 120.0 . .
C21 C22 C23 120.3(4) . .
C21 C22 H22A 119.8 . .
C23 C22 H22A 119.8 . .
C22 C23 C18 120.6(3) . .
C22 C23 H23A 119.7 . .
C18 C23 H23A 119.7 . .
C16 C24 H24A 109.5 . .
C16 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C16 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O5 C25 O4 120.7(3) . .
O5 C25 C26 121.9(3) . .
O4 C25 C26 117.5(3) . .
O5 C25 Co1 62.55(14) . .
O4 C25 Co1 58.14(14) . .
C26 C25 Co1 175.6(2) . .
C27 C26 C28 104.4(2) . .
C27 C26 C25 123.5(3) . .
C28 C26 C25 131.9(3) . .
O6 C27 C26 109.7(3) . .
O6 C27 C35 114.6(3) . .
C26 C27 C35 135.6(3) . .
N4 C28 C26 111.1(3) . .
N4 C28 C29 116.0(3) . .
C26 C28 C29 132.9(2) . .
C34 C29 C30 118.8(3) . .
C34 C29 C28 121.2(3) . .
C30 C29 C28 119.7(3) . .
C31 C30 C29 120.9(4) . .
C31 C30 H30A 119.5 . .
C29 C30 H30A 119.5 . .
C32 C31 C30 120.1(4) . .
C32 C31 H31A 119.9 . .
C30 C31 H31A 119.9 . .
C31 C32 C33 119.7(4) . .
C31 C32 H32A 120.1 . .
C33 C32 H32A 120.1 . .
C32 C33 C34 121.0(4) . .
C32 C33 H33A 119.5 . .
C34 C33 H33A 119.5 . .
C29 C34 C33 119.3(4) . .
C29 C34 H34A 120.3 . .
C33 C34 H34A 120.3 . .
C27 C35 H35A 109.5 . .
C27 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C27 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 2.091(2) .
Co1 O4 2.115(2) .
Co1 N2 2.115(2) .
Co1 O1 2.145(2) .
Co1 O2 2.1914(19) .
Co1 O5 2.212(2) .
Co1 C25 2.490(3) .
Co1 C14 2.511(3) .
O1 C14 1.265(3) .
O2 C14 1.260(3) .
O3 C16 1.352(4) .
O3 N3 1.413(3) .
O4 C25 1.264(3) .
O5 C25 1.248(3) .
O6 C27 1.345(4) .
O6 N4 1.407(4) .
N1 C5 1.335(3) .
N1 C1 1.341(3) .
N2 C10 1.332(4) .
N2 C6 1.337(4) .
N3 C17 1.311(4) .
N4 C28 1.305(4) .
C1 C2 1.370(4) .
C1 H1A 0.9300 .
C2 C3 1.386(4) .
C2 H2A 0.9300 .
C3 C4 1.380(4) .
C3 C13 1.497(4) 1_655
C4 C5 1.372(4) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 C7 1.370(4) .
C6 H6A 0.9300 .
C7 C8 1.380(4) .
C7 H7A 0.9300 .
C8 C9 1.385(4) .
C8 C11 1.501(4) .
C9 C10 1.375(4) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.533(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.522(4) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C3 1.497(4) 1_455
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.476(4) .
C15 C16 1.350(4) .
C15 C17 1.446(4) .
C16 C24 1.483(4) .
C17 C18 1.473(4) .
C18 C23 1.387(4) .
C18 C19 1.399(4) .
C19 C20 1.395(5) .
C19 H19A 0.9300 .
C20 C21 1.357(6) .
C20 H20A 0.9300 .
C21 C22 1.377(6) .
C21 H21A 0.9300 .
C22 C23 1.384(5) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.480(4) .
C26 C27 1.351(4) .
C26 C28 1.432(4) .
C27 C35 1.481(5) .
C28 C29 1.481(4) .
C29 C34 1.371(5) .
C29 C30 1.385(4) .
C30 C31 1.379(5) .
C30 H30A 0.9300 .
C31 C32 1.354(6) .
C31 H31A 0.9300 .
C32 C33 1.365(6) .
C32 H32A 0.9300 .
C33 C34 1.397(5) .
C33 H33A 0.9300 .
C34 H34A 0.9300 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
