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#$Date: 2024-02-04 13:23:29 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289386 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/25/7132564.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_7132564
loop_
_publ_author_name
'Barhate, Komal Vasant'
'Wadawale, Amey P.'
'Chandrakumar, K. R. S.'
'Agarwal, Neeraj'
_publ_section_title
;
 Modulation of ΔEST and room temperature
 phosphorescence in carbazole derivatives.
;
_journal_issue                   11
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1408
_journal_page_last               1411
_journal_paper_doi               10.1039/d3cc05119f
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C34 H21 F6 N O'
_chemical_formula_weight         573.52
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-10-05 deposited with the CCDC.	2024-01-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.071(9)
_cell_length_b                   13.5223(6)
_cell_length_c                   7.5005(4)
_cell_measurement_reflns_used    16742
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      76.7700
_cell_measurement_theta_min      3.2450
_cell_volume                     2745.6(9)
_computing_cell_refinement       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_molecular_graphics    'ORTEP-3 for windws'
_computing_publication_material  'WinGX 2021.3'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            26690
_diffrn_reflns_point_group_measured_fraction_full 0.830
_diffrn_reflns_point_group_measured_fraction_max 0.807
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.848
_diffrn_reflns_theta_min         3.265
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.952
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.57a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_description       plate
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details
;
 Flack x determined using 1222 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.13(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.301
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         4748
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.300
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0651
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2021
_refine_ls_wR_factor_ref         0.2847
_reflns_Friedel_coverage         0.513
_reflns_Friedel_fraction_full    0.629
_reflns_Friedel_fraction_max     0.595
_reflns_number_gt                4183
_reflns_number_total             4748
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc05119f5.cif
_cod_data_source_block           DI-CF3-Acph
_cod_depositor_comments
'Adding full bibliography for 7132564--7132565.cif.'
_cod_original_cell_volume        2745.6(10)
_cod_database_code               7132564
_shelx_shelxl_version_number     2017/1
_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   0.870
_shelx_estimated_absorpt_t_max   0.981
_oxdiff_exptl_absorpt_empirical_full_min 0.562
_oxdiff_exptl_absorpt_empirical_full_max 2.037
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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
C1 C 0.5700(2) 0.1852(4) 0.4769(11) 0.0783(15) Uani 1 1 d . . . . .
C2 C 0.53294(17) 0.2689(3) 0.4663(8) 0.0630(11) Uani 1 1 d . . . . .
C3 C 0.54219(15) 0.3559(4) 0.5571(8) 0.0616(11) Uani 1 1 d . . . . .
H3 H 0.571523 0.363688 0.620025 0.074 Uiso 1 1 calc R U . . .
C4 C 0.50769(15) 0.4314(3) 0.5540(7) 0.0584(10) Uani 1 1 d . . . . .
H4 H 0.514416 0.490431 0.612983 0.070 Uiso 1 1 calc R U . . .
C5 C 0.46341(14) 0.4205(3) 0.4646(6) 0.0519(8) Uani 1 1 d . . . . .
C6 C 0.45556(17) 0.3339(3) 0.3691(8) 0.0618(11) Uani 1 1 d . . . . .
H6 H 0.426708 0.327009 0.302992 0.074 Uiso 1 1 calc R U . . .
C7 C 0.48983(19) 0.2575(3) 0.3701(10) 0.0699(13) Uani 1 1 d . . . . .
H7 H 0.483833 0.199561 0.306963 0.084 Uiso 1 1 calc R U . . .
C8 C 0.42479(15) 0.4991(3) 0.4729(6) 0.0519(8) Uani 1 1 d . . . . .
C9 C 0.43745(16) 0.5993(3) 0.5057(8) 0.0592(10) Uani 1 1 d . . . . .
H9 H 0.470660 0.615881 0.516322 0.071 Uiso 1 1 calc R U . . .
C10 C 0.40270(16) 0.6731(3) 0.5225(8) 0.0616(11) Uani 1 1 d . . . . .
H10 H 0.411882 0.738331 0.543816 0.074 Uiso 1 1 calc R U . . .
C11 C 0.35354(15) 0.6463(3) 0.5064(6) 0.0535(9) Uani 1 1 d . . . . .
C12 C 0.33959(14) 0.5471(3) 0.4764(7) 0.0516(9) Uani 1 1 d . . . . .
C13 C 0.37583(14) 0.4743(3) 0.4550(6) 0.0512(8) Uani 1 1 d . . . . .
H13 H 0.366832 0.409516 0.428868 0.061 Uiso 1 1 calc R U . . .
C14 C 0.27015(15) 0.6399(3) 0.5151(7) 0.0557(10) Uani 1 1 d . . . . .
C15 C 0.28676(14) 0.5423(3) 0.4843(6) 0.0526(9) Uani 1 1 d . . . . .
C16 C 0.25330(16) 0.4652(3) 0.4658(7) 0.0544(9) Uani 1 1 d . . . . .
H16 H 0.264446 0.401439 0.442456 0.065 Uiso 1 1 calc R U . . .
C17 C 0.20330(15) 0.4839(3) 0.4822(6) 0.0538(9) Uani 1 1 d . . . . .
C18 C 0.18766(15) 0.5826(3) 0.5087(8) 0.0605(11) Uani 1 1 d . . . . .
H18 H 0.153971 0.595503 0.515940 0.073 Uiso 1 1 calc R U . . .
C19 C 0.22011(16) 0.6604(3) 0.5243(8) 0.0614(11) Uani 1 1 d . . . . .
H19 H 0.208796 0.724677 0.540441 0.074 Uiso 1 1 calc R U . . .
C20 C 0.16721(15) 0.4013(3) 0.4722(7) 0.0535(9) Uani 1 1 d . . . . .
C21 C 0.12072(17) 0.4152(3) 0.3978(8) 0.0622(10) Uani 1 1 d . . . . .
H21 H 0.111847 0.477456 0.356079 0.075 Uiso 1 1 calc R U . . .
C22 C 0.08766(18) 0.3385(4) 0.3850(8) 0.0673(11) Uani 1 1 d . . . . .
H22 H 0.056438 0.349242 0.337097 0.081 Uiso 1 1 calc R U . . .
C23 C 0.1010(2) 0.2450(4) 0.4438(8) 0.0684(12) Uani 1 1 d . . . . .
C24 C 0.1468(2) 0.2287(3) 0.5170(9) 0.0716(13) Uani 1 1 d . . . . .
H24 H 0.155700 0.165856 0.555946 0.086 Uiso 1 1 calc R U . . .
C25 C 0.17961(18) 0.3065(3) 0.5323(9) 0.0653(11) Uani 1 1 d . . . . .
H25 H 0.210447 0.295685 0.583360 0.078 Uiso 1 1 calc R U . . .
C26 C 0.0656(3) 0.1594(5) 0.4205(15) 0.098(2) Uani 1 1 d . . . . .
C27 C 0.30941(15) 0.8076(3) 0.5551(7) 0.0532(9) Uani 1 1 d . . . . .
C28 C 0.33842(16) 0.8704(3) 0.4513(7) 0.0597(10) Uani 1 1 d . . . . .
H28 H 0.359205 0.844603 0.364267 0.072 Uiso 1 1 calc R U . . .
C29 C 0.33608(16) 0.9714(3) 0.4787(8) 0.0609(10) Uani 1 1 d . . . . .
H29 H 0.356605 1.012895 0.413099 0.073 Uiso 1 1 calc R U . . .
C30 C 0.30341(16) 1.0127(3) 0.6032(6) 0.0552(9) Uani 1 1 d . . . . .
C31 C 0.27513(18) 0.9483(3) 0.7037(8) 0.0623(11) Uani 1 1 d . . . . .
H31 H 0.253591 0.974121 0.788322 0.075 Uiso 1 1 calc R U . . .
C32 C 0.27776(19) 0.8471(3) 0.6826(8) 0.0635(11) Uani 1 1 d . . . . .
H32 H 0.258519 0.805585 0.753013 0.076 Uiso 1 1 calc R U . . .
C33 C 0.29635(19) 1.1226(3) 0.6259(8) 0.0639(11) Uani 1 1 d . . . . .
C34 C 0.3284(3) 1.1935(4) 0.5331(11) 0.0821(16) Uani 1 1 d . . . . .
H34A H 0.316822 1.202604 0.413315 0.123 Uiso 1 1 calc R U . . .
H34B H 0.361630 1.168566 0.530636 0.123 Uiso 1 1 calc R U . . .
H34C H 0.327825 1.255702 0.594820 0.123 Uiso 1 1 calc R U . . .
N1 N 0.31099(13) 0.7031(2) 0.5269(7) 0.0585(9) Uani 1 1 d . . . . .
O1 O 0.26364(17) 1.1526(3) 0.7251(8) 0.0860(13) Uani 1 1 d . . . . .
F1 F 0.5635(3) 0.1293(5) 0.6180(12) 0.148(3) Uani 1 1 d . . . . .
F3 F 0.5675(3) 0.1251(4) 0.3361(11) 0.132(2) Uani 1 1 d . . . . .
F4 F 0.01965(19) 0.1861(5) 0.4228(15) 0.149(3) Uani 1 1 d . . . . .
F6 F 0.0675(3) 0.0973(4) 0.5593(12) 0.139(3) Uani 1 1 d . . . . .
F2A F 0.6156(12) 0.211(2) 0.543(9) 0.174(19) Uani 0.32(5) 1 d . U P A 1
F5A F 0.091(2) 0.087(3) 0.334(9) 0.172(19) Uani 0.32(5) 1 d . U P A 1
F2B F 0.6147(3) 0.2182(10) 0.463(4) 0.129(7) Uani 0.68(5) 1 d . U P A 2
F5B F 0.0687(10) 0.1137(17) 0.270(2) 0.149(8) Uani 0.68(5) 1 d . U P A 2
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'
F F 0.0727 0.0534 '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
F2B C1 F1 112.8(14) . . ?
F2B C1 F3 101.1(12) . . ?
F1 C1 F3 106.3(6) . . ?
F1 C1 F2A 89(3) . . ?
F3 C1 F2A 119(2) . . ?
F2B C1 C2 111.0(7) . . ?
F1 C1 C2 112.7(6) . . ?
F3 C1 C2 112.4(6) . . ?
F2A C1 C2 114.9(14) . . ?
C7 C2 C3 120.3(4) . . ?
C7 C2 C1 120.3(5) . . ?
C3 C2 C1 119.4(5) . . ?
C2 C3 C4 119.9(4) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 120.9(4) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 118.3(4) . . ?
C4 C5 C8 120.7(4) . . ?
C6 C5 C8 121.0(4) . . ?
C5 C6 C7 121.5(4) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C2 C7 C6 119.0(5) . . ?
C2 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
C13 C8 C9 118.9(3) . . ?
C13 C8 C5 119.8(3) . . ?
C9 C8 C5 121.2(4) . . ?
C10 C9 C8 122.9(4) . . ?
C10 C9 H9 118.6 . . ?
C8 C9 H9 118.6 . . ?
C9 C10 C11 117.3(4) . . ?
C9 C10 H10 121.4 . . ?
C11 C10 H10 121.4 . . ?
C10 C11 N1 129.8(4) . . ?
C10 C11 C12 121.3(4) . . ?
N1 C11 C12 108.7(3) . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 C15 132.3(4) . . ?
C11 C12 C15 107.7(3) . . ?
C8 C13 C12 119.6(4) . . ?
C8 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C19 C14 N1 130.3(4) . . ?
C19 C14 C15 120.4(4) . . ?
N1 C14 C15 109.2(4) . . ?
C16 C15 C14 120.7(4) . . ?
C16 C15 C12 132.9(4) . . ?
C14 C15 C12 106.4(3) . . ?
C17 C16 C15 119.5(4) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 118.5(4) . . ?
C16 C17 C20 120.1(4) . . ?
C18 C17 C20 121.3(4) . . ?
C19 C18 C17 122.8(4) . . ?
C19 C18 H18 118.6 . . ?
C17 C18 H18 118.6 . . ?
C18 C19 C14 117.9(4) . . ?
C18 C19 H19 121.0 . . ?
C14 C19 H19 121.0 . . ?
C21 C20 C25 118.1(4) . . ?
C21 C20 C17 120.9(4) . . ?
C25 C20 C17 121.0(4) . . ?
C22 C21 C20 121.1(4) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C21 C22 C23 119.8(5) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 120.5(5) . . ?
C24 C23 C26 119.7(6) . . ?
C22 C23 C26 119.8(6) . . ?
C23 C24 C25 119.4(5) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C24 C25 C20 121.1(5) . . ?
C24 C25 H25 119.4 . . ?
C20 C25 H25 119.4 . . ?
F5B C26 F4 101.9(17) . . ?
F5B C26 F6 112.1(14) . . ?
F4 C26 F6 101.6(8) . . ?
F4 C26 F5A 134(3) . . ?
F6 C26 F5A 84(3) . . ?
F5B C26 C23 115.4(9) . . ?
F4 C26 C23 113.2(6) . . ?
F6 C26 C23 111.5(8) . . ?
F5A C26 C23 106.8(14) . . ?
C32 C27 C28 119.8(4) . . ?
C32 C27 N1 120.0(4) . . ?
C28 C27 N1 120.2(4) . . ?
C29 C28 C27 119.6(4) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 121.4(4) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C31 C30 C29 117.5(4) . . ?
C31 C30 C33 119.3(4) . . ?
C29 C30 C33 123.1(4) . . ?
C32 C31 C30 122.2(4) . . ?
C32 C31 H31 118.9 . . ?
C30 C31 H31 118.9 . . ?
C31 C32 C27 119.4(4) . . ?
C31 C32 H32 120.3 . . ?
C27 C32 H32 120.3 . . ?
O1 C33 C34 119.9(5) . . ?
O1 C33 C30 119.0(5) . . ?
C34 C33 C30 121.0(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C11 N1 C14 108.0(3) . . ?
C11 N1 C27 125.9(3) . . ?
C14 N1 C27 126.1(3) . . ?
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
C1 F2B 1.295(12) . ?
C1 F1 1.313(10) . ?
C1 F3 1.334(10) . ?
C1 F2A 1.38(3) . ?
C1 C2 1.513(6) . ?
C2 C7 1.381(8) . ?
C2 C3 1.382(7) . ?
C3 C4 1.384(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.388(6) . ?
C5 C8 1.493(5) . ?
C6 C7 1.389(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C13 1.374(6) . ?
C8 C9 1.419(5) . ?
C9 C10 1.377(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.385(6) . ?
C10 H10 0.9300 . ?
C11 N1 1.393(5) . ?
C11 C12 1.411(5) . ?
C12 C13 1.399(5) . ?
C12 C15 1.433(5) . ?
C13 H13 0.9300 . ?
C14 C19 1.384(5) . ?
C14 N1 1.401(5) . ?
C14 C15 1.413(5) . ?
C15 C16 1.388(6) . ?
C16 C17 1.382(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.415(6) . ?
C17 C20 1.486(5) . ?
C18 C19 1.375(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.389(6) . ?
C20 C25 1.400(6) . ?
C21 C22 1.373(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.387(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(9) . ?
C23 C26 1.511(8) . ?
C24 C25 1.380(7) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 F5B 1.287(16) . ?
C26 F4 1.296(10) . ?
C26 F6 1.338(13) . ?
C26 F5A 1.36(4) . ?
C27 C32 1.391(7) . ?
C27 C28 1.395(6) . ?
C27 N1 1.429(5) . ?
C28 C29 1.382(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.402(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.382(7) . ?
C30 C33 1.508(5) . ?
C31 C32 1.380(6) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 O1 1.226(8) . ?
C33 C34 1.469(8) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
