#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:12:38 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289356 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/24/7132468.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_7132468
loop_
_publ_author_name
'Liu, Xiao-Li'
'Ji, Shun-Jun'
'Cai, Zhong-Jian'
_publ_section_title
;
 Palladium-catalyzed carbomonofluoromethylation of unactivated alkenes:
 rapid access to γ-monofluoromethyl carboxylic acid derivatives.
;
_journal_issue                   6
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              730
_journal_page_last               733
_journal_paper_doi               10.1039/d3cc05380f
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C33 H29 F N2 O5 S2'
_chemical_formula_sum            'C33 H29 F N2 O5 S2'
_chemical_formula_weight         616.70
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-03-03
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-10-24 deposited with the CCDC.	2023-12-12 downloaded from the CCDC.
;
_cell_angle_alpha                112.009(2)
_cell_angle_beta                 98.334(2)
_cell_angle_gamma                104.508(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3017(4)
_cell_length_b                   13.9812(7)
_cell_length_c                   14.6108(7)
_cell_measurement_reflns_used    9832
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.67
_cell_measurement_theta_min      2.63
_cell_volume                     1467.25(13)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_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  0.0902
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            65792
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.765
_diffrn_reflns_theta_min         2.629
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.234
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6264
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1613 before and 0.0994 after correction.
The Ratio of minimum to maximum transmission is 0.8401.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_description       block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.333
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         6846
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0634P)²+0.7478P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1338
_refine_ls_wR_factor_ref         0.1529
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4494
_reflns_number_total             6846
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc05380f2.cif
_cod_data_source_block           b221114b_0m
_cod_depositor_comments          'Adding full bibliography for 7132468.cif.'
_cod_database_code               7132468
_shelx_shelxl_version_number     2014/7
_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_max   0.955
_shelx_estimated_absorpt_t_min   0.872
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C11(H11A,H11B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C15(H15), C14(H14), C19(H19), C27(H27), C18(H18), C23(H23), C7(H7),
 C5(H5), C24(H24), C1(H1A), C26(H26), C6(H6), C25(H25), C2(H2), C29(H29),
 C3(H3), C33(H33), C32(H32), C31(H31), C30(H30)
2.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
S001 S 0.26432(8) 0.29065(6) 0.73608(6) 0.0600(2) Uani 1 1 d . . . . .
S002 S 0.18296(8) 0.26713(6) 0.50891(5) 0.0688(2) Uani 1 1 d . . . . .
F1 F 0.19353(15) 0.42873(10) 0.67159(10) 0.0476(3) Uani 1 1 d . . . . .
N1 N 0.7003(2) 0.79439(16) 0.76619(16) 0.0491(5) Uani 1 1 d . . . . .
H1 H 0.7568 0.7700 0.7230 0.059 Uiso 1 1 calc R . . . .
N2 N 1.0283(3) 0.89163(17) 0.78064(16) 0.0521(5) Uani 1 1 d . . . . .
O3 O 0.3469(3) 0.3806(2) 0.83429(17) 0.0924(8) Uani 1 1 d . . . . .
O5 O 0.4536(3) 0.74597(17) 0.8096(2) 0.0945(8) Uani 1 1 d . . . . .
C13 C 0.7308(3) 0.56275(17) 0.79664(17) 0.0417(5) Uani 1 1 d . . . . .
C12 C 0.5444(3) 0.53345(18) 0.74006(18) 0.0434(5) Uani 1 1 d . . . . .
H12 H 0.4766 0.5435 0.7905 0.052 Uiso 1 1 calc R . . . .
C21 C 0.2817(3) 0.35523(18) 0.64667(18) 0.0449(5) Uani 1 1 d . . . . .
C22 C 0.0463(3) 0.23662(18) 0.72946(17) 0.0409(5) Uani 1 1 d . . . . .
C16 C 1.0733(3) 0.61084(18) 0.90367(19) 0.0465(5) Uani 1 1 d . . . . .
C9 C 0.9506(3) 0.95441(18) 0.84207(17) 0.0436(5) Uani 1 1 d . . . . .
O4 O 0.3330(3) 0.2042(2) 0.7018(3) 0.1131(10) Uani 1 1 d . . . . .
O1 O 0.2242(3) 0.3415(3) 0.46365(17) 0.1304(13) Uani 1 1 d . . . . .
C15 C 1.0365(3) 0.60950(19) 0.8083(2) 0.0509(6) Uani 1 1 d . . . . .
H15 H 1.1261 0.6251 0.7791 0.061 Uiso 1 1 calc R . . . .
C14 C 0.8683(3) 0.5854(2) 0.75482(19) 0.0495(6) Uani 1 1 d . . . . .
H14 H 0.8470 0.5842 0.6901 0.059 Uiso 1 1 calc R . . . .
C19 C 0.7688(3) 0.56481(18) 0.89255(18) 0.0474(6) Uani 1 1 d . . . . .
H19 H 0.6799 0.5504 0.9226 0.057 Uiso 1 1 calc R . . . .
C8 C 0.7740(3) 0.90533(18) 0.83498(18) 0.0442(5) Uani 1 1 d . . . . .
C28 C -0.0400(3) 0.22319(19) 0.48880(17) 0.0438(5) Uani 1 1 d . . . . .
C27 C -0.0490(3) 0.3053(2) 0.75950(19) 0.0504(6) Uani 1 1 d . . . . .
H27 H -0.0012 0.3800 0.7791 0.060 Uiso 1 1 calc R . . . .
C20 C 0.4744(3) 0.41178(19) 0.6629(2) 0.0504(6) Uani 1 1 d . . . . .
H20A H 0.4940 0.4061 0.5975 0.060 Uiso 1 1 calc R . . . .
H20B H 0.5396 0.3730 0.6866 0.060 Uiso 1 1 calc R . . . .
C10 C 0.5527(3) 0.7211(2) 0.7588(2) 0.0512(6) Uani 1 1 d . . . . .
C11 C 0.5174(3) 0.6046(2) 0.68417(19) 0.0506(6) Uani 1 1 d . . . . .
H11A H 0.5939 0.6029 0.6397 0.061 Uiso 1 1 calc R . . . .
H11B H 0.3996 0.5746 0.6418 0.061 Uiso 1 1 calc R . . . .
C18 C 0.9361(3) 0.58778(19) 0.9448(2) 0.0515(6) Uani 1 1 d . . . . .
H18 H 0.9575 0.5878 1.0090 0.062 Uiso 1 1 calc R . . . .
C4 C 1.0375(3) 1.0649(2) 0.91212(19) 0.0511(6) Uani 1 1 d . . . . .
C23 C -0.0220(3) 0.1261(2) 0.7021(2) 0.0516(6) Uani 1 1 d . . . . .
H23 H 0.0437 0.0807 0.6824 0.062 Uiso 1 1 calc R . . . .
O2 O 0.2419(3) 0.1768(2) 0.4825(2) 0.1382(14) Uani 1 1 d . . . . .
C7 C 0.6900(3) 0.9659(2) 0.8944(2) 0.0550(6) Uani 1 1 d . . . . .
H7 H 0.5741 0.9345 0.8888 0.066 Uiso 1 1 calc R . . . .
C5 C 0.9469(4) 1.1237(2) 0.9733(2) 0.0643(7) Uani 1 1 d . . . . .
H5 H 1.0033 1.1960 1.0205 0.077 Uiso 1 1 calc R . . . .
C24 C -0.1898(4) 0.0841(2) 0.7045(2) 0.0618(7) Uani 1 1 d . . . . .
H24 H -0.2376 0.0098 0.6869 0.074 Uiso 1 1 calc R . . . .
C1 C 1.1924(3) 0.9374(2) 0.7895(2) 0.0631(7) Uani 1 1 d . . . . .
H1A H 1.2478 0.8948 0.7494 0.076 Uiso 1 1 calc R . . . .
C26 C -0.2171(3) 0.2601(3) 0.7596(2) 0.0621(7) Uani 1 1 d . . . . .
H26 H -0.2843 0.3046 0.7783 0.075 Uiso 1 1 calc R . . . .
C6 C 0.7790(4) 1.0753(2) 0.9636(2) 0.0646(7) Uani 1 1 d . . . . .
H6 H 0.7208 1.1156 1.0037 0.078 Uiso 1 1 calc R . . . .
C25 C -0.2855(3) 0.1511(3) 0.7326(2) 0.0656(8) Uani 1 1 d . . . . .
H25 H -0.3989 0.1220 0.7333 0.079 Uiso 1 1 calc R . . . .
C2 C 1.2884(3) 1.0463(3) 0.8557(2) 0.0666(8) Uani 1 1 d . . . . .
H2 H 1.4034 1.0750 0.8577 0.080 Uiso 1 1 calc R . . . .
C29 C -0.1219(3) 0.1181(2) 0.4755(2) 0.0611(7) Uani 1 1 d . . . . .
H29 H -0.0580 0.0732 0.4793 0.073 Uiso 1 1 calc R . . . .
C3 C 1.2125(4) 1.1094(2) 0.9168(2) 0.0651(8) Uani 1 1 d . . . . .
H3 H 1.2752 1.1818 0.9616 0.078 Uiso 1 1 calc R . . . .
C17 C 1.2571(3) 0.6382(2) 0.9621(2) 0.0653(7) Uani 1 1 d . . . . .
H17A H 1.2789 0.5719 0.9553 0.098 Uiso 1 1 calc GR . . . .
H17B H 1.2736 0.6838 1.0332 0.098 Uiso 1 1 calc GR . . . .
H17C H 1.3353 0.6763 0.9350 0.098 Uiso 1 1 calc GR . . . .
C33 C -0.1337(4) 0.2898(3) 0.4833(2) 0.0681(8) Uani 1 1 d . . . . .
H33 H -0.0796 0.3605 0.4916 0.082 Uiso 1 1 calc R . . . .
C32 C -0.3133(5) 0.2485(4) 0.4649(3) 0.0886(11) Uani 1 1 d . . . . .
H32 H -0.3806 0.2917 0.4610 0.106 Uiso 1 1 calc R . . . .
C31 C -0.3874(4) 0.1453(4) 0.4528(3) 0.0962(13) Uani 1 1 d . . . . .
H31 H -0.5066 0.1189 0.4414 0.115 Uiso 1 1 calc R . . . .
C30 C -0.2977(4) 0.0803(3) 0.4566(3) 0.0890(11) Uani 1 1 d . . . . .
H30 H -0.3538 0.0092 0.4465 0.107 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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 '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
O3 S001 C21 103.36(12) . . ?
O3 S001 C22 108.46(13) . . ?
C22 S001 C21 109.08(10) . . ?
O4 S001 O3 119.69(18) . . ?
O4 S001 C21 106.45(14) . . ?
O4 S001 C22 109.29(13) . . ?
O1 S002 C21 102.93(13) . . ?
O1 S002 C28 107.41(15) . . ?
C28 S002 C21 108.06(10) . . ?
O2 S002 C21 107.68(15) . . ?
O2 S002 O1 120.1(2) . . ?
O2 S002 C28 109.99(14) . . ?
C8 N1 H1 115.7 . . ?
C10 N1 H1 115.7 . . ?
C10 N1 C8 128.6(2) . . ?
C1 N2 C9 117.2(2) . . ?
C14 C13 C12 122.8(2) . . ?
C19 C13 C12 119.8(2) . . ?
C19 C13 C14 117.4(2) . . ?
C13 C12 H12 107.8 . . ?
C13 C12 C20 109.61(18) . . ?
C13 C12 C11 113.95(18) . . ?
C20 C12 H12 107.8 . . ?
C11 C12 H12 107.8 . . ?
C11 C12 C20 109.6(2) . . ?
S002 C21 S001 117.89(12) . . ?
F1 C21 S001 106.16(14) . . ?
F1 C21 S002 104.61(15) . . ?
F1 C21 C20 112.15(17) . . ?
C20 C21 S001 107.41(17) . . ?
C20 C21 S002 108.67(16) . . ?
C27 C22 S001 120.09(17) . . ?
C23 C22 S001 118.22(18) . . ?
C23 C22 C27 121.5(2) . . ?
C15 C16 C18 117.5(2) . . ?
C15 C16 C17 121.2(2) . . ?
C18 C16 C17 121.3(2) . . ?
N2 C9 C8 117.9(2) . . ?
N2 C9 C4 122.9(2) . . ?
C4 C9 C8 119.2(2) . . ?
C16 C15 H15 119.3 . . ?
C16 C15 C14 121.4(2) . . ?
C14 C15 H15 119.3 . . ?
C13 C14 H14 119.5 . . ?
C15 C14 C13 121.0(2) . . ?
C15 C14 H14 119.5 . . ?
C13 C19 H19 119.3 . . ?
C18 C19 C13 121.3(2) . . ?
C18 C19 H19 119.3 . . ?
N1 C8 C9 115.2(2) . . ?
C7 C8 N1 124.9(2) . . ?
C7 C8 C9 119.9(2) . . ?
C29 C28 S002 118.48(19) . . ?
C33 C28 S002 121.1(2) . . ?
C33 C28 C29 120.4(2) . . ?
C22 C27 H27 120.9 . . ?
C22 C27 C26 118.1(2) . . ?
C26 C27 H27 120.9 . . ?
C12 C20 H20A 108.7 . . ?
C12 C20 H20B 108.7 . . ?
C21 C20 C12 114.40(18) . . ?
C21 C20 H20A 108.7 . . ?
C21 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
N1 C10 C11 116.0(2) . . ?
O5 C10 N1 122.8(2) . . ?
O5 C10 C11 121.2(2) . . ?
C12 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 C12 111.4(2) . . ?
C10 C11 H11A 109.3 . . ?
C10 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C16 C18 H18 119.2 . . ?
C19 C18 C16 121.5(2) . . ?
C19 C18 H18 119.2 . . ?
C5 C4 C9 119.1(2) . . ?
C3 C4 C9 116.9(2) . . ?
C3 C4 C5 124.0(3) . . ?
C22 C23 H23 120.7 . . ?
C22 C23 C24 118.7(2) . . ?
C24 C23 H23 120.7 . . ?
C8 C7 H7 120.0 . . ?
C8 C7 C6 120.0(2) . . ?
C6 C7 H7 120.0 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.3(3) . . ?
C6 C5 H5 119.8 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.2(2) . . ?
C25 C24 H24 119.9 . . ?
N2 C1 H1A 118.0 . . ?
N2 C1 C2 123.9(3) . . ?
C2 C1 H1A 118.0 . . ?
C27 C26 H26 119.6 . . ?
C25 C26 C27 120.8(3) . . ?
C25 C26 H26 119.6 . . ?
C7 C6 H6 119.2 . . ?
C5 C6 C7 121.6(3) . . ?
C5 C6 H6 119.2 . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.7(2) . . ?
C26 C25 H25 119.7 . . ?
C1 C2 H2 120.3 . . ?
C3 C2 C1 119.3(3) . . ?
C3 C2 H2 120.3 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.7(3) . . ?
C30 C29 H29 120.1 . . ?
C4 C3 H3 120.2 . . ?
C2 C3 C4 119.6(3) . . ?
C2 C3 H3 120.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C28 C33 H33 120.9 . . ?
C28 C33 C32 118.2(3) . . ?
C32 C33 H33 120.9 . . ?
C33 C32 H32 120.4 . . ?
C31 C32 C33 119.2(3) . . ?
C31 C32 H32 120.4 . . ?
C32 C31 H31 118.6 . . ?
C30 C31 C32 122.7(3) . . ?
C30 C31 H31 118.6 . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.7(4) . . ?
C31 C30 H30 120.1 . . ?
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
S001 O3 1.429(2) . ?
S001 C21 1.848(2) . ?
S001 C22 1.751(2) . ?
S001 O4 1.418(2) . ?
S002 C21 1.843(2) . ?
S002 O1 1.428(3) . ?
S002 C28 1.740(2) . ?
S002 O2 1.408(3) . ?
F1 C21 1.378(2) . ?
N1 H1 0.8600 . ?
N1 C8 1.403(3) . ?
N1 C10 1.346(3) . ?
N2 C9 1.361(3) . ?
N2 C1 1.316(3) . ?
O5 C10 1.215(3) . ?
C13 C12 1.518(3) . ?
C13 C14 1.394(3) . ?
C13 C19 1.379(3) . ?
C12 H12 0.9800 . ?
C12 C20 1.543(3) . ?
C12 C11 1.540(3) . ?
C21 C20 1.535(3) . ?
C22 C27 1.380(3) . ?
C22 C23 1.379(3) . ?
C16 C15 1.374(3) . ?
C16 C18 1.386(3) . ?
C16 C17 1.512(3) . ?
C9 C8 1.424(3) . ?
C9 C4 1.413(3) . ?
C15 H15 0.9300 . ?
C15 C14 1.387(3) . ?
C14 H14 0.9300 . ?
C19 H19 0.9300 . ?
C19 C18 1.378(3) . ?
C8 C7 1.370(3) . ?
C28 C29 1.380(3) . ?
C28 C33 1.372(4) . ?
C27 H27 0.9300 . ?
C27 C26 1.381(3) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C10 C11 1.505(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C18 H18 0.9300 . ?
C4 C5 1.412(4) . ?
C4 C3 1.410(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.381(4) . ?
C7 H7 0.9300 . ?
C7 C6 1.402(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.348(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.363(4) . ?
C1 H1A 0.9300 . ?
C1 C2 1.397(4) . ?
C26 H26 0.9300 . ?
C26 C25 1.361(4) . ?
C6 H6 0.9300 . ?
C25 H25 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.350(4) . ?
C29 H29 0.9300 . ?
C29 C30 1.368(4) . ?
C3 H3 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C33 H33 0.9300 . ?
C33 C32 1.402(5) . ?
C32 H32 0.9300 . ?
C32 C31 1.351(6) . ?
C31 H31 0.9300 . ?
C31 C30 1.323(6) . ?
C30 H30 0.9300 . ?
