#------------------------------------------------------------------------------
#$Date: 2020-09-06 13:17:33 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256162 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/76/7157617.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_7157617
loop_
_publ_author_name
'Chang, Meng-Yang'
'Chen, Kuan-Ting'
'Chen, Han-Yu'
_publ_section_title
;
 One-pot construction of dispirocyclohexanes via
 K₂CO₃-mediated desulfonylative
 Michael-Michael-aldol (2 + 2 + 2) annulation of sulfonyl 2-pyridyl
 flavanones and methylketones.
;
_journal_issue                   32
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              6297
_journal_page_last               6311
_journal_paper_doi               10.1039/d0ob01404d
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C33 H24 Br2 Cl3 N2 O5'
_chemical_formula_weight         794.71
_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   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2019-11-15 deposited with the CCDC.	2020-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.3340(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5330(4)
_cell_length_b                   26.8610(11)
_cell_length_c                   12.2233(5)
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.5051
_cell_measurement_theta_min      3.2906
_cell_volume                     3125.7(2)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.898
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.898
_diffrn_reflns_Laue_measured_fraction_max 0.921
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13631
_diffrn_reflns_point_group_measured_fraction_full 0.898
_diffrn_reflns_point_group_measured_fraction_max 0.921
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         66.562
_diffrn_reflns_theta_min         3.290
_exptl_absorpt_coefficient_mu    6.036
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.4490
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lump
_exptl_crystal_F_000             1588
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.171
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         5087
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0518
_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)+(0.0481P)²+17.9656P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1430
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5008
_reflns_number_total             5087
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ob01404d2.cif
_cod_data_source_block           cu_190705LT_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7157612--7157619.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7157617
_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.
;
_shelxl_version_number           2014/6
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
Br1 Br 0.99995(5) 0.46529(2) 0.23984(5) 0.02416(17) Uani 1 1 d . . . . .
Br2 Br 0.94551(6) 0.81958(2) 0.19802(6) 0.03172(19) Uani 1 1 d . . . . .
Cl1 Cl 0.65944(13) 0.58550(6) -0.40505(13) 0.0348(3) Uani 1 1 d . . . . .
Cl2 Cl 0.45905(17) 0.63521(5) -0.61916(14) 0.0399(4) Uani 1 1 d . . . . .
Cl3 Cl 0.37134(14) 0.55208(5) -0.51819(13) 0.0338(3) Uani 1 1 d . . . . .
O1 O 0.4457(3) 0.74737(12) -0.1780(3) 0.0187(7) Uani 1 1 d . . . . .
O2 O 0.4010(3) 0.65017(11) -0.0012(3) 0.0130(6) Uani 1 1 d . . . . .
O3 O 0.6463(3) 0.58987(11) 0.1164(3) 0.0128(6) Uani 1 1 d . . . . .
O4 O 0.9370(3) 0.63744(12) 0.0753(3) 0.0213(7) Uani 1 1 d . . . . .
O5 O 0.5000(3) 0.65839(12) -0.2567(3) 0.0183(7) Uani 1 1 d . . . . .
N1 N 0.8156(4) 0.52281(13) 0.0537(4) 0.0133(8) Uani 1 1 d . . . . .
N2 N 0.7691(4) 0.73957(13) 0.1114(4) 0.0137(8) Uani 1 1 d . . . . .
C1 C 0.8740(5) 0.44584(17) -0.0134(5) 0.0202(10) Uani 1 1 d . . . . .
H1 H 0.9273 0.4159 0.0057 0.024 Uiso 1 1 calc R U . . .
C2 C 0.8833(5) 0.47970(17) 0.0745(4) 0.0153(9) Uani 1 1 d . . . . .
C3 C 0.7280(5) 0.53423(16) -0.0596(4) 0.0139(9) Uani 1 1 d . . . . .
C4 C 0.6577(5) 0.58514(16) -0.0803(4) 0.0138(9) Uani 1 1 d . . . . .
H18 H 0.6972 0.6044 -0.1285 0.017 Uiso 1 1 calc R U . . .
C5 C 0.6963(4) 0.61488(15) 0.0364(4) 0.0113(9) Uani 1 1 d . . . . .
C6 C 0.6341(5) 0.66804(16) 0.0058(4) 0.0124(9) Uani 1 1 d . . . . .
H22 H 0.6742 0.6824 -0.0481 0.015 Uiso 1 1 calc R U . . .
C7 C 0.4736(5) 0.66781(16) -0.0711(4) 0.0127(9) Uani 1 1 d . . . . .
C8 C 0.4161(5) 0.72128(16) -0.1106(4) 0.0138(9) Uani 1 1 d . . . . .
C9 C 0.3192(5) 0.73067(16) -0.0575(4) 0.0140(9) Uani 1 1 d . . . . .
C10 C 0.2334(5) 0.77122(17) -0.0637(4) 0.0168(10) Uani 1 1 d . . . . .
H23 H 0.2344 0.8004 -0.1072 0.020 Uiso 1 1 calc R U . . .
C11 C 0.1475(5) 0.76779(18) -0.0052(5) 0.0192(10) Uani 1 1 d . . . . .
H2 H 0.0872 0.7947 -0.0089 0.023 Uiso 1 1 calc R U . . .
C12 C 0.1486(5) 0.72435(18) 0.0602(4) 0.0182(10) Uani 1 1 d . . . . .
H3 H 0.0906 0.7231 0.1019 0.022 Uiso 1 1 calc R U . . .
C13 C 0.3158(5) 0.68734(16) 0.0051(4) 0.0140(9) Uani 1 1 d . . . . .
C14 C 0.2310(5) 0.68376(17) 0.0656(4) 0.0166(9) Uani 1 1 d . . . . .
H4 H 0.2297 0.6546 0.1089 0.020 Uiso 1 1 calc R U . . .
C15 C 0.7565(5) 0.58427(16) 0.2269(4) 0.0157(9) Uani 1 1 d . . . . .
C16 C 0.8820(5) 0.60237(17) 0.2337(4) 0.0183(10) Uani 1 1 d . . . . .
C17 C 0.8568(5) 0.62015(16) 0.1132(4) 0.0158(10) Uani 1 1 d . . . . .
C18 C 1.0043(5) 0.5978(2) 0.3416(5) 0.0275(12) Uani 1 1 d . . . . .
H8 H 1.0920 0.6099 0.3479 0.033 Uiso 1 1 calc R U . . .
C19 C 0.9931(6) 0.5752(2) 0.4388(5) 0.0325(13) Uani 1 1 d . . . . .
H7 H 1.0740 0.5722 0.5136 0.039 Uiso 1 1 calc R U . . .
C20 C 0.8666(6) 0.5570(2) 0.4286(5) 0.0297(12) Uani 1 1 d . . . . .
H5 H 0.8633 0.5410 0.4966 0.036 Uiso 1 1 calc R U . . .
C21 C 0.7431(6) 0.56094(19) 0.3228(5) 0.0229(11) Uani 1 1 d . . . . .
H6 H 0.6557 0.5486 0.3167 0.027 Uiso 1 1 calc R U . . .
C22 C 0.7831(6) 0.45786(18) -0.1303(5) 0.0249(11) Uani 1 1 d . . . . .
H10 H 0.7721 0.4359 -0.1946 0.030 Uiso 1 1 calc R U . . .
C23 C 0.7080(6) 0.50158(18) -0.1546(5) 0.0226(11) Uani 1 1 d . . . . .
H9 H 0.6433 0.5095 -0.2351 0.027 Uiso 1 1 calc R U . . .
C24 C 0.4981(5) 0.58275(16) -0.1595(4) 0.0164(10) Uani 1 1 d . . . . .
H11 H 0.4874 0.5690 -0.2391 0.020 Uiso 1 1 calc R U . . .
C25 C 0.4184(5) 0.54691(17) -0.1150(5) 0.0190(10) Uani 1 1 d . . . . .
H12 H 0.4669 0.5147 -0.0957 0.029 Uiso 1 1 calc R U . . .
H14 H 0.3229 0.5424 -0.1783 0.029 Uiso 1 1 calc R U . . .
H13 H 0.4142 0.5606 -0.0423 0.029 Uiso 1 1 calc R U . . .
C26 C 0.4349(5) 0.63560(16) -0.1876(4) 0.0150(9) Uani 1 1 d . . . . .
C27 C 0.2763(5) 0.63431(18) -0.2635(5) 0.0215(11) Uani 1 1 d . . . . .
H15 H 0.2425 0.6679 -0.2927 0.032 Uiso 1 1 calc R U . . .
H16 H 0.2303 0.6222 -0.2138 0.032 Uiso 1 1 calc R U . . .
H17 H 0.2541 0.6120 -0.3327 0.032 Uiso 1 1 calc R U . . .
C28 C 0.6839(4) 0.70228(16) 0.1152(4) 0.0129(9) Uani 1 1 d . . . . .
C29 C 0.8241(5) 0.76877(17) 0.2063(5) 0.0188(10) Uani 1 1 d . . . . .
C30 C 0.8041(5) 0.76414(18) 0.3109(5) 0.0210(11) Uani 1 1 d . . . . .
H21 H 0.8485 0.7861 0.3775 0.025 Uiso 1 1 calc R U . . .
C31 C 0.7171(5) 0.72635(18) 0.3141(5) 0.0201(10) Uani 1 1 d . . . . .
H19 H 0.7001 0.7216 0.3836 0.024 Uiso 1 1 calc R U . . .
C32 C 0.6547(5) 0.69537(17) 0.2140(4) 0.0164(9) Uani 1 1 d . . . . .
H20 H 0.5925 0.6697 0.2137 0.020 Uiso 1 1 calc R U . . .
C33 C 0.4843(5) 0.60409(19) -0.4844(5) 0.0229(11) Uani 1 1 d . . . . .
H24 H 0.4605 0.6275 -0.4323 0.027 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 '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
C13 O2 C7 108.6(3) . . ?
C15 O3 C5 108.5(3) . . ?
C2 N1 C3 118.5(4) . . ?
C29 N2 C28 117.3(4) . . ?
C22 C1 C2 116.1(4) . . ?
C22 C1 H1 121.9 . . ?
C2 C1 H1 121.9 . . ?
N1 C2 C1 125.0(4) . . ?
N1 C2 Br1 115.5(3) . . ?
C1 C2 Br1 119.5(4) . . ?
N1 C3 C23 120.8(4) . . ?
N1 C3 C4 116.8(4) . . ?
C23 C3 C4 122.4(4) . . ?
C3 C4 C5 113.4(4) . . ?
C3 C4 C24 112.9(4) . . ?
C5 C4 C24 113.0(4) . . ?
C3 C4 H18 105.5 . . ?
C5 C4 H18 105.5 . . ?
C24 C4 H18 105.5 . . ?
O3 C5 C4 110.9(3) . . ?
O3 C5 C6 110.5(3) . . ?
C4 C5 C6 109.9(4) . . ?
O3 C5 C17 104.4(3) . . ?
C4 C5 C17 113.4(4) . . ?
C6 C5 C17 107.5(3) . . ?
C28 C6 C7 114.4(4) . . ?
C28 C6 C5 113.2(4) . . ?
C7 C6 C5 112.5(3) . . ?
C28 C6 H22 105.2 . . ?
C7 C6 H22 105.2 . . ?
C5 C6 H22 105.2 . . ?
O2 C7 C6 111.1(4) . . ?
O2 C7 C8 104.6(3) . . ?
C6 C7 C8 111.4(3) . . ?
O2 C7 C26 111.0(3) . . ?
C6 C7 C26 110.3(4) . . ?
C8 C7 C26 108.3(4) . . ?
O1 C8 C9 129.5(4) . . ?
O1 C8 C7 124.3(4) . . ?
C9 C8 C7 106.1(4) . . ?
C10 C9 C13 120.7(4) . . ?
C10 C9 C8 132.5(4) . . ?
C13 C9 C8 106.7(4) . . ?
C11 C10 C9 118.3(4) . . ?
C11 C10 H23 120.9 . . ?
C9 C10 H23 120.9 . . ?
C10 C11 C12 120.1(4) . . ?
C10 C11 H2 120.0 . . ?
C12 C11 H2 120.0 . . ?
C14 C12 C11 122.3(4) . . ?
C14 C12 H3 118.8 . . ?
C11 C12 H3 118.8 . . ?
O2 C13 C14 124.6(4) . . ?
O2 C13 C9 114.0(4) . . ?
C14 C13 C9 121.4(4) . . ?
C12 C14 C13 117.1(4) . . ?
C12 C14 H4 121.4 . . ?
C13 C14 H4 121.4 . . ?
O3 C15 C16 114.2(4) . . ?
O3 C15 C21 122.4(4) . . ?
C16 C15 C21 123.4(5) . . ?
C15 C16 C18 119.9(5) . . ?
C15 C16 C17 107.4(4) . . ?
C18 C16 C17 132.5(5) . . ?
O4 C17 C16 130.8(4) . . ?
O4 C17 C5 124.0(4) . . ?
C16 C17 C5 105.1(4) . . ?
C19 C18 C16 117.7(5) . . ?
C19 C18 H8 121.2 . . ?
C16 C18 H8 121.2 . . ?
C20 C19 C18 120.9(5) . . ?
C20 C19 H7 119.5 . . ?
C18 C19 H7 119.5 . . ?
C19 C20 C21 122.8(5) . . ?
C19 C20 H5 118.6 . . ?
C21 C20 H5 118.6 . . ?
C15 C21 C20 115.2(5) . . ?
C15 C21 H6 122.4 . . ?
C20 C21 H6 122.4 . . ?
C23 C22 C1 120.3(5) . . ?
C23 C22 H10 119.8 . . ?
C1 C22 H10 119.8 . . ?
C22 C23 C3 119.2(5) . . ?
C22 C23 H9 120.4 . . ?
C3 C23 H9 120.4 . . ?
C25 C24 C4 114.9(4) . . ?
C25 C24 C26 114.2(4) . . ?
C4 C24 C26 110.6(4) . . ?
C25 C24 H11 105.4 . . ?
C4 C24 H11 105.4 . . ?
C26 C24 H11 105.4 . . ?
C24 C25 H12 109.5 . . ?
C24 C25 H14 109.5 . . ?
H12 C25 H14 109.5 . . ?
C24 C25 H13 109.5 . . ?
H12 C25 H13 109.5 . . ?
H14 C25 H13 109.5 . . ?
O5 C26 C27 109.1(4) . . ?
O5 C26 C24 104.7(4) . . ?
C27 C26 C24 111.7(4) . . ?
O5 C26 C7 107.2(3) . . ?
C27 C26 C7 111.0(4) . . ?
C24 C26 C7 112.8(4) . . ?
C26 C27 H15 109.5 . . ?
C26 C27 H16 109.5 . . ?
H15 C27 H16 109.5 . . ?
C26 C27 H17 109.5 . . ?
H15 C27 H17 109.5 . . ?
H16 C27 H17 109.5 . . ?
N2 C28 C32 121.8(4) . . ?
N2 C28 C6 113.6(4) . . ?
C32 C28 C6 124.5(4) . . ?
N2 C29 C30 125.3(4) . . ?
N2 C29 Br2 115.7(4) . . ?
C30 C29 Br2 118.9(4) . . ?
C31 C30 C29 117.2(4) . . ?
C31 C30 H21 121.4 . . ?
C29 C30 H21 121.4 . . ?
C30 C31 C32 119.0(5) . . ?
C30 C31 H19 120.5 . . ?
C32 C31 H19 120.5 . . ?
C28 C32 C31 119.4(4) . . ?
C28 C32 H20 120.3 . . ?
C31 C32 H20 120.3 . . ?
Cl1 C33 Cl2 110.8(3) . . ?
Cl1 C33 Cl3 110.4(3) . . ?
Cl2 C33 Cl3 109.8(3) . . ?
Cl1 C33 H24 108.6 . . ?
Cl2 C33 H24 108.6 . . ?
Cl3 C33 H24 108.6 . . ?
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
Br1 C2 1.902(5) . ?
Br2 C29 1.902(5) . ?
Cl1 C33 1.750(5) . ?
Cl2 C33 1.763(5) . ?
Cl3 C33 1.766(5) . ?
O1 C8 1.219(6) . ?
O2 C13 1.366(5) . ?
O2 C7 1.449(5) . ?
O3 C15 1.360(6) . ?
O3 C5 1.458(5) . ?
O4 C17 1.216(6) . ?
O5 C26 1.434(6) . ?
N1 C2 1.326(6) . ?
N1 C3 1.330(6) . ?
N2 C29 1.312(6) . ?
N2 C28 1.359(6) . ?
C1 C22 1.376(8) . ?
C1 C2 1.378(7) . ?
C1 H1 0.9500 . ?
C3 C23 1.398(7) . ?
C3 C4 1.524(6) . ?
C4 C5 1.530(6) . ?
C4 C24 1.542(6) . ?
C4 H18 1.0000 . ?
C5 C6 1.549(6) . ?
C5 C17 1.550(6) . ?
C6 C28 1.519(6) . ?
C6 C7 1.543(6) . ?
C6 H22 1.0000 . ?
C7 C8 1.553(6) . ?
C7 C26 1.564(6) . ?
C8 C9 1.447(6) . ?
C9 C10 1.396(7) . ?
C9 C13 1.401(6) . ?
C10 C11 1.376(7) . ?
C10 H23 0.9500 . ?
C11 C12 1.411(7) . ?
C11 H2 0.9500 . ?
C12 C14 1.377(7) . ?
C12 H3 0.9500 . ?
C13 C14 1.386(7) . ?
C14 H4 0.9500 . ?
C15 C16 1.377(7) . ?
C15 C21 1.389(7) . ?
C16 C18 1.399(7) . ?
C16 C17 1.461(7) . ?
C18 C19 1.384(9) . ?
C18 H8 0.9500 . ?
C19 C20 1.374(9) . ?
C19 H7 0.9500 . ?
C20 C21 1.391(7) . ?
C20 H5 0.9500 . ?
C21 H6 0.9500 . ?
C22 C23 1.375(7) . ?
C22 H10 0.9500 . ?
C23 H9 0.9500 . ?
C24 C25 1.522(7) . ?
C24 C26 1.543(6) . ?
C24 H11 1.0000 . ?
C25 H12 0.9800 . ?
C25 H14 0.9800 . ?
C25 H13 0.9800 . ?
C26 C27 1.525(6) . ?
C27 H15 0.9800 . ?
C27 H16 0.9800 . ?
C27 H17 0.9800 . ?
C28 C32 1.381(7) . ?
C29 C30 1.387(8) . ?
C30 C31 1.380(7) . ?
C30 H21 0.9500 . ?
C31 C32 1.390(7) . ?
C31 H19 0.9500 . ?
C32 H20 0.9500 . ?
C33 H24 1.0000 . ?
