#------------------------------------------------------------------------------
#$Date: 2023-04-13 15:19:33 +0300 (Thu, 13 Apr 2023) $
#$Revision: 282621 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/80/1568005.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_1568005
loop_
_publ_author_name
'Liu, Wei-Chun'
'Gabbaï, François P.'
_publ_section_title
;
 Placing gold on a π+-surface: ligand design and impact on reactivity
;
_journal_issue                   2
_journal_name_full               'Chemical Science'
_journal_page_first              277
_journal_page_last               283
_journal_paper_doi               10.1039/D2SC05574K
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C37 H27 O2 P'
_chemical_formula_sum            'C37 H27 O2 P'
_chemical_formula_weight         534.55
_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   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-02-10
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2022-07-18 deposited with the CCDC.	2022-11-22 downloaded from the CCDC.
;
_cell_angle_alpha                99.167(2)
_cell_angle_beta                 94.905(2)
_cell_angle_gamma                94.346(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4208(9)
_cell_length_b                   10.7638(9)
_cell_length_c                   11.9994(10)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.58
_cell_measurement_theta_min      2.164
_cell_volume                     1318.41(19)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0829
_diffrn_reflns_av_unetI/netI     0.0719
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            39128
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.574
_diffrn_reflns_theta_min         1.728
_exptl_absorpt_coefficient_mu    0.139
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0717 before and 0.0623 after correction.
The Ratio of minimum to maximum transmission is 0.9154.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.156
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.085
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.474
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         7395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0572
_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)+(0.0443P)²+0.9439P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1248
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5178
_reflns_number_total             7395
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc05574k2.cif
_cod_data_source_block           wcl_13_0m_a
_cod_depositor_comments
'Adding full bibliography for 1568005--1568011.cif.'
_cod_database_code               1568005
#BEGIN Tags that were not found in dictionaries:
_shelx_shelxl_version_number     2018/3
_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   0.988
_shelx_estimated_absorpt_t_min   0.979
_olex2_refinement_description
;
1.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2A), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C15(H15),
 C16(H16), C19(H19), C20(H20), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
  C33(H33), C34(H34), C35(H35), C36(H36), C37(H37)
1.b Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
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
P1 P 0.32696(5) 0.31374(4) 0.69882(4) 0.01164(11) Uani 1 1 d . . . . .
O1 O 0.16268(12) 0.07916(13) 0.82913(11) 0.0179(3) Uani 1 1 d . . . . .
O2 O 0.45317(13) -0.02356(13) 0.88162(12) 0.0202(3) Uani 1 1 d . . . . .
H2 H 0.414454 -0.085927 0.840956 0.030 Uiso 1 1 calc R U . . .
C1 C 0.38916(18) -0.01040(17) 0.61908(16) 0.0156(4) Uani 1 1 d . . . . .
H1 H 0.477386 -0.008231 0.611728 0.019 Uiso 1 1 calc R U . . .
C2 C 0.30189(19) -0.06278(18) 0.52692(16) 0.0178(4) Uani 1 1 d . . . . .
H2A H 0.331509 -0.096051 0.458447 0.021 Uiso 1 1 calc R U . . .
C3 C 0.17089(19) -0.06538(18) 0.53712(17) 0.0185(4) Uani 1 1 d . . . . .
H3 H 0.112180 -0.100052 0.475196 0.022 Uiso 1 1 calc R U . . .
C4 C 0.12645(18) -0.01670(17) 0.63896(17) 0.0166(4) Uani 1 1 d . . . . .
H4 H 0.038151 -0.017713 0.645746 0.020 Uiso 1 1 calc R U . . .
C5 C 0.1777(2) 0.22791(19) 0.99587(17) 0.0206(4) Uani 1 1 d . . . . .
H5 H 0.088425 0.214843 0.995917 0.025 Uiso 1 1 calc R U . . .
C6 C 0.2496(2) 0.3153(2) 1.07934(17) 0.0231(5) Uani 1 1 d . . . . .
H6 H 0.208212 0.362318 1.135161 0.028 Uiso 1 1 calc R U . . .
C7 C 0.3824(2) 0.3333(2) 1.08036(17) 0.0241(5) Uani 1 1 d . . . . .
H7 H 0.430376 0.391960 1.136712 0.029 Uiso 1 1 calc R U . . .
C8 C 0.4435(2) 0.26337(19) 0.99704(16) 0.0189(4) Uani 1 1 d . . . . .
H8 H 0.532910 0.275390 0.998044 0.023 Uiso 1 1 calc R U . . .
C9 C 0.43809(17) 0.08679(17) 0.82792(15) 0.0132(4) Uani 1 1 d . . . . .
C10 C 0.34690(17) 0.03887(16) 0.72216(15) 0.0122(4) Uani 1 1 d . . . . .
C11 C 0.21451(18) 0.03330(17) 0.73023(16) 0.0137(4) Uani 1 1 d . . . . .
C12 C 0.37345(18) 0.17541(17) 0.91177(15) 0.0143(4) Uani 1 1 d . . . . .
C13 C 0.24041(19) 0.16020(18) 0.91229(16) 0.0163(4) Uani 1 1 d . . . . .
C14 C 0.57143(17) 0.14410(17) 0.80519(15) 0.0126(4) Uani 1 1 d . . . . .
C15 C 0.67752(18) 0.08541(18) 0.84112(16) 0.0170(4) Uani 1 1 d . . . . .
H15 H 0.661931 0.013455 0.873509 0.020 Uiso 1 1 calc R U . . .
C16 C 0.80722(18) 0.12653(18) 0.83227(17) 0.0190(4) Uani 1 1 d . . . . .
H16 H 0.874378 0.082412 0.857239 0.023 Uiso 1 1 calc R U . . .
C17 C 0.83169(18) 0.23221(18) 0.78636(17) 0.0174(4) Uani 1 1 d . . . . .
C18 C 0.77122(18) 0.39928(18) 0.70087(16) 0.0165(4) Uani 1 1 d . . . . .
C19 C 0.68499(18) 0.47073(18) 0.65567(16) 0.0164(4) Uani 1 1 d . . . . .
H19 H 0.712324 0.539440 0.622732 0.020 Uiso 1 1 calc R U . . .
C20 C 0.55391(18) 0.43706(18) 0.66058(16) 0.0157(4) Uani 1 1 d . . . . .
H20 H 0.494810 0.486052 0.629928 0.019 Uiso 1 1 calc R U . . .
C21 C 0.50506(17) 0.33586(17) 0.70781(15) 0.0132(4) Uani 1 1 d . . . . .
C22 C 0.59376(17) 0.25637(17) 0.75441(15) 0.0119(4) Uani 1 1 d . . . . .
C23 C 0.72616(17) 0.29453(17) 0.74799(15) 0.0137(4) Uani 1 1 d . . . . .
C24 C 0.95731(19) 0.3009(2) 0.7661(2) 0.0226(5) Uani 1 1 d . . . . .
H24A H 1.008(2) 0.245(2) 0.719(2) 0.027(6) Uiso 1 1 d . . . . .
H24B H 1.014(2) 0.330(2) 0.835(2) 0.026(6) Uiso 1 1 d . . . . .
C25 C 0.9164(2) 0.4120(2) 0.7097(2) 0.0263(5) Uani 1 1 d . . . . .
H25A H 0.955(2) 0.496(3) 0.753(2) 0.038(7) Uiso 1 1 d . . . . .
H25B H 0.948(2) 0.407(2) 0.636(2) 0.039(7) Uiso 1 1 d . . . . .
C26 C 0.28370(17) 0.47576(17) 0.74012(16) 0.0141(4) Uani 1 1 d . . . . .
C27 C 0.26128(18) 0.50876(18) 0.85315(16) 0.0174(4) Uani 1 1 d . . . . .
H27 H 0.270243 0.450001 0.901680 0.021 Uiso 1 1 calc R U . . .
C28 C 0.22583(19) 0.62750(19) 0.89485(18) 0.0223(4) Uani 1 1 d . . . . .
H28 H 0.210874 0.647744 0.970635 0.027 Uiso 1 1 calc R U . . .
C29 C 0.2128(2) 0.7155(2) 0.82397(19) 0.0251(5) Uani 1 1 d . . . . .
H29 H 0.190033 0.795595 0.851912 0.030 Uiso 1 1 calc R U . . .
C30 C 0.2336(2) 0.6842(2) 0.71100(19) 0.0243(5) Uani 1 1 d . . . . .
H30 H 0.224538 0.743460 0.662948 0.029 Uiso 1 1 calc R U . . .
C31 C 0.26807(19) 0.56495(19) 0.66903(17) 0.0191(4) Uani 1 1 d . . . . .
H31 H 0.280801 0.544442 0.592753 0.023 Uiso 1 1 calc R U . . .
C32 C 0.28665(18) 0.28285(17) 0.54499(16) 0.0144(4) Uani 1 1 d . . . . .
C33 C 0.15846(19) 0.28757(19) 0.50424(17) 0.0198(4) Uani 1 1 d . . . . .
H33 H 0.099788 0.317454 0.554009 0.024 Uiso 1 1 calc R U . . .
C34 C 0.1171(2) 0.2483(2) 0.39040(18) 0.0253(5) Uani 1 1 d . . . . .
H34 H 0.031469 0.253604 0.363995 0.030 Uiso 1 1 calc R U . . .
C35 C 0.2023(2) 0.20139(19) 0.31615(18) 0.0265(5) Uani 1 1 d . . . . .
H35 H 0.173640 0.171906 0.240331 0.032 Uiso 1 1 calc R U . . .
C36 C 0.3303(2) 0.19833(19) 0.35471(17) 0.0248(5) Uani 1 1 d . . . . .
H36 H 0.388553 0.168943 0.304321 0.030 Uiso 1 1 calc R U . . .
C37 C 0.3725(2) 0.23890(18) 0.46830(16) 0.0188(4) Uani 1 1 d . . . . .
H37 H 0.459082 0.236743 0.493550 0.023 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
C26 P1 C21 102.42(8) . . ?
C32 P1 C21 100.78(8) . . ?
C32 P1 C26 103.35(8) . . ?
C13 O1 C11 118.41(14) . . ?
C9 O2 H2 109.5 . . ?
C2 C1 H1 119.5 . . ?
C2 C1 C10 120.99(18) . . ?
C10 C1 H1 119.5 . . ?
C1 C2 H2A 120.1 . . ?
C3 C2 C1 119.74(18) . . ?
C3 C2 H2A 120.1 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.32(18) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.4 . . ?
C11 C4 C3 119.20(18) . . ?
C11 C4 H4 120.4 . . ?
C6 C5 H5 120.5 . . ?
C6 C5 C13 119.07(19) . . ?
C13 C5 H5 120.5 . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.48(19) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 120.2 . . ?
C6 C7 C8 119.58(19) . . ?
C8 C7 H7 120.2 . . ?
C7 C8 H8 119.4 . . ?
C7 C8 C12 121.13(19) . . ?
C12 C8 H8 119.4 . . ?
O2 C9 C10 104.55(14) . . ?
O2 C9 C12 104.44(14) . . ?
O2 C9 C14 109.88(14) . . ?
C10 C9 C14 114.39(15) . . ?
C12 C9 C10 110.53(15) . . ?
C12 C9 C14 112.30(15) . . ?
C1 C10 C9 122.95(16) . . ?
C1 C10 C11 117.92(17) . . ?
C11 C10 C9 118.88(16) . . ?
O1 C11 C10 122.40(16) . . ?
C4 C11 O1 115.78(16) . . ?
C4 C11 C10 121.81(17) . . ?
C8 C12 C9 122.38(17) . . ?
C13 C12 C8 118.04(18) . . ?
C13 C12 C9 119.21(16) . . ?
O1 C13 C5 116.08(17) . . ?
O1 C13 C12 122.23(17) . . ?
C5 C13 C12 121.68(18) . . ?
C15 C14 C9 116.39(16) . . ?
C15 C14 C22 118.37(17) . . ?
C22 C14 C9 125.18(15) . . ?
C14 C15 H15 117.6 . . ?
C14 C15 C16 124.89(18) . . ?
C16 C15 H15 117.6 . . ?
C15 C16 H16 120.9 . . ?
C17 C16 C15 118.28(18) . . ?
C17 C16 H16 120.9 . . ?
C16 C17 C23 118.63(17) . . ?
C16 C17 C24 131.44(18) . . ?
C23 C17 C24 109.92(17) . . ?
C19 C18 C23 119.65(18) . . ?
C19 C18 C25 130.03(19) . . ?
C23 C18 C25 110.32(17) . . ?
C18 C19 H19 121.3 . . ?
C18 C19 C20 117.47(18) . . ?
C20 C19 H19 121.3 . . ?
C19 C20 H20 117.6 . . ?
C21 C20 C19 124.89(18) . . ?
C21 C20 H20 117.6 . . ?
C20 C21 P1 114.65(14) . . ?
C20 C21 C22 119.12(17) . . ?
C22 C21 P1 126.19(14) . . ?
C21 C22 C14 131.36(17) . . ?
C23 C22 C14 114.63(16) . . ?
C23 C22 C21 114.00(16) . . ?
C17 C23 C22 125.18(17) . . ?
C18 C23 C17 109.97(17) . . ?
C18 C23 C22 124.84(17) . . ?
C17 C24 H24A 111.1(14) . . ?
C17 C24 H24B 113.5(14) . . ?
C17 C24 C25 104.73(16) . . ?
H24A C24 H24B 103.5(19) . . ?
C25 C24 H24A 113.1(14) . . ?
C25 C24 H24B 111.2(14) . . ?
C18 C25 C24 105.04(17) . . ?
C18 C25 H25A 112.6(14) . . ?
C18 C25 H25B 111.4(15) . . ?
C24 C25 H25A 112.3(15) . . ?
C24 C25 H25B 110.4(15) . . ?
H25A C25 H25B 105(2) . . ?
C27 C26 P1 115.45(14) . . ?
C27 C26 C31 118.18(18) . . ?
C31 C26 P1 126.34(15) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 C26 121.26(19) . . ?
C28 C27 H27 119.4 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 119.9(2) . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.75(19) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120.3(2) . . ?
C31 C30 H30 119.8 . . ?
C26 C31 H31 119.7 . . ?
C30 C31 C26 120.55(19) . . ?
C30 C31 H31 119.7 . . ?
C33 C32 P1 117.53(15) . . ?
C33 C32 C37 118.31(18) . . ?
C37 C32 P1 123.58(15) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.8(2) . . ?
C34 C33 H33 119.6 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.2(2) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 120.1 . . ?
C34 C35 C36 119.72(19) . . ?
C36 C35 H35 120.1 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.2(2) . . ?
C37 C36 H36 119.9 . . ?
C32 C37 H37 119.7 . . ?
C36 C37 C32 120.68(19) . . ?
C36 C37 H37 119.7 . . ?
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
P1 C21 1.8449(19) . ?
P1 C26 1.8364(19) . ?
P1 C32 1.8289(19) . ?
O1 C11 1.381(2) . ?
O1 C13 1.375(2) . ?
O2 H2 0.8200 . ?
O2 C9 1.451(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.385(3) . ?
C1 C10 1.387(3) . ?
C2 H2A 0.9300 . ?
C2 C3 1.380(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(3) . ?
C4 H4 0.9300 . ?
C4 C11 1.377(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(3) . ?
C5 C13 1.384(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.381(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.383(3) . ?
C8 H8 0.9300 . ?
C8 C12 1.391(3) . ?
C9 C10 1.513(2) . ?
C9 C12 1.511(3) . ?
C9 C14 1.541(3) . ?
C10 C11 1.389(3) . ?
C12 C13 1.384(3) . ?
C14 C15 1.385(3) . ?
C14 C22 1.450(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.408(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.357(3) . ?
C17 C23 1.412(3) . ?
C17 C24 1.512(3) . ?
C18 C19 1.359(3) . ?
C18 C23 1.407(3) . ?
C18 C25 1.502(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.395(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.389(3) . ?
C21 C22 1.443(3) . ?
C22 C23 1.421(2) . ?
C24 H24A 0.98(2) . ?
C24 H24B 0.97(2) . ?
C24 C25 1.535(3) . ?
C25 H25A 1.00(3) . ?
C25 H25B 0.96(3) . ?
C26 C27 1.391(3) . ?
C26 C31 1.392(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.386(3) . ?
C28 H28 0.9300 . ?
C28 C29 1.377(3) . ?
C29 H29 0.9300 . ?
C29 C30 1.384(3) . ?
C30 H30 0.9300 . ?
C30 C31 1.387(3) . ?
C31 H31 0.9300 . ?
C32 C33 1.390(3) . ?
C32 C37 1.392(3) . ?
C33 H33 0.9300 . ?
C33 C34 1.385(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.378(3) . ?
C35 H35 0.9300 . ?
C35 C36 1.378(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.386(3) . ?
C37 H37 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C21 C22 C14 -0.5(3) . . . . ?
P1 C21 C22 C23 178.69(13) . . . . ?
P1 C26 C27 C28 -178.94(15) . . . . ?
P1 C26 C31 C30 179.27(15) . . . . ?
P1 C32 C33 C34 -170.96(15) . . . . ?
P1 C32 C37 C36 169.66(15) . . . . ?
O2 C9 C10 C1 -88.7(2) . . . . ?
O2 C9 C10 C11 85.40(19) . . . . ?
O2 C9 C12 C8 89.5(2) . . . . ?
O2 C9 C12 C13 -83.36(19) . . . . ?
O2 C9 C14 C15 -1.7(2) . . . . ?
O2 C9 C14 C22 -178.83(16) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C1 C10 C11 O1 179.70(16) . . . . ?
C1 C10 C11 C4 -1.4(3) . . . . ?
C2 C1 C10 C9 174.60(17) . . . . ?
C2 C1 C10 C11 0.4(3) . . . . ?
C2 C3 C4 C11 -0.6(3) . . . . ?
C3 C4 C11 O1 -179.53(16) . . . . ?
C3 C4 C11 C10 1.5(3) . . . . ?
C5 C6 C7 C8 0.1(3) . . . . ?
C6 C5 C13 O1 -177.15(17) . . . . ?
C6 C5 C13 C12 1.7(3) . . . . ?
C6 C7 C8 C12 0.2(3) . . . . ?
C7 C8 C12 C9 -172.56(18) . . . . ?
C7 C8 C12 C13 0.3(3) . . . . ?
C8 C12 C13 O1 177.46(17) . . . . ?
C8 C12 C13 C5 -1.3(3) . . . . ?
C9 C10 C11 O1 5.3(3) . . . . ?
C9 C10 C11 C4 -175.85(16) . . . . ?
C9 C12 C13 O1 -9.4(3) . . . . ?
C9 C12 C13 C5 171.84(17) . . . . ?
C9 C14 C15 C16 -177.29(18) . . . . ?
C9 C14 C22 C21 -4.1(3) . . . . ?
C9 C14 C22 C23 176.68(16) . . . . ?
C10 C1 C2 C3 0.5(3) . . . . ?
C10 C9 C12 C8 -158.62(17) . . . . ?
C10 C9 C12 C13 28.6(2) . . . . ?
C10 C9 C14 C15 -118.91(18) . . . . ?
C10 C9 C14 C22 64.0(2) . . . . ?
C11 O1 C13 C5 164.27(17) . . . . ?
C11 O1 C13 C12 -14.5(3) . . . . ?
C12 C9 C10 C1 159.41(17) . . . . ?
C12 C9 C10 C11 -26.4(2) . . . . ?
C12 C9 C14 C15 114.07(18) . . . . ?
C12 C9 C14 C22 -63.1(2) . . . . ?
C13 O1 C11 C4 -162.25(16) . . . . ?
C13 O1 C11 C10 16.7(3) . . . . ?
C13 C5 C6 C7 -1.1(3) . . . . ?
C14 C9 C10 C1 31.5(2) . . . . ?
C14 C9 C10 C11 -154.38(16) . . . . ?
C14 C9 C12 C8 -29.6(2) . . . . ?
C14 C9 C12 C13 157.63(16) . . . . ?
C14 C15 C16 C17 0.7(3) . . . . ?
C14 C22 C23 C17 0.0(3) . . . . ?
C14 C22 C23 C18 179.10(17) . . . . ?
C15 C14 C22 C21 178.79(18) . . . . ?
C15 C14 C22 C23 -0.4(2) . . . . ?
C15 C16 C17 C23 -1.1(3) . . . . ?
C15 C16 C17 C24 179.3(2) . . . . ?
C16 C17 C23 C18 -178.46(18) . . . . ?
C16 C17 C23 C22 0.7(3) . . . . ?
C16 C17 C24 C25 179.1(2) . . . . ?
C17 C24 C25 C18 -0.3(2) . . . . ?
C18 C19 C20 C21 -0.2(3) . . . . ?
C19 C18 C23 C17 178.14(17) . . . . ?
C19 C18 C23 C22 -1.1(3) . . . . ?
C19 C18 C25 C24 -178.5(2) . . . . ?
C19 C20 C21 P1 -178.83(15) . . . . ?
C19 C20 C21 C22 -1.1(3) . . . . ?
C20 C21 C22 C14 -177.96(18) . . . . ?
C20 C21 C22 C23 1.2(2) . . . . ?
C21 P1 C26 C27 -97.17(15) . . . . ?
C21 P1 C26 C31 84.83(18) . . . . ?
C21 P1 C32 C33 -166.64(15) . . . . ?
C21 P1 C32 C37 22.23(18) . . . . ?
C21 C22 C23 C17 -179.30(17) . . . . ?
C21 C22 C23 C18 -0.2(3) . . . . ?
C22 C14 C15 C16 0.0(3) . . . . ?
C23 C17 C24 C25 -0.5(2) . . . . ?
C23 C18 C19 C20 1.2(3) . . . . ?
C23 C18 C25 C24 1.1(2) . . . . ?
C24 C17 C23 C18 1.2(2) . . . . ?
C24 C17 C23 C22 -179.59(18) . . . . ?
C25 C18 C19 C20 -179.3(2) . . . . ?
C25 C18 C23 C17 -1.4(2) . . . . ?
C25 C18 C23 C22 179.37(18) . . . . ?
C26 P1 C21 C20 -44.45(16) . . . . ?
C26 P1 C21 C22 137.98(16) . . . . ?
C26 P1 C32 C33 -60.97(17) . . . . ?
C26 P1 C32 C37 127.90(17) . . . . ?
C26 C27 C28 C29 -0.3(3) . . . . ?
C27 C26 C31 C30 1.3(3) . . . . ?
C27 C28 C29 C30 0.8(3) . . . . ?
C28 C29 C30 C31 -0.2(3) . . . . ?
C29 C30 C31 C26 -0.8(3) . . . . ?
C31 C26 C27 C28 -0.8(3) . . . . ?
C32 P1 C21 C20 61.97(15) . . . . ?
C32 P1 C21 C22 -115.61(16) . . . . ?
C32 P1 C26 C27 158.41(14) . . . . ?
C32 P1 C26 C31 -19.59(19) . . . . ?
C32 C33 C34 C35 1.3(3) . . . . ?
C33 C32 C37 C36 -1.4(3) . . . . ?
C33 C34 C35 C36 -2.6(3) . . . . ?
C34 C35 C36 C37 1.8(3) . . . . ?
C35 C36 C37 C32 0.2(3) . . . . ?
C37 C32 C33 C34 0.6(3) . . . . ?
