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#$Date: 2021-06-05 21:47:25 +0300 (Sat, 05 Jun 2021) $
#$Revision: 266063 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/68/7706849.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_7706849
loop_
_publ_author_name
'Hu, Lei'
'Mahaut, Damien'
'Tumanov, Nikolay'
'Wouters, Johan'
'Collard, Laurent'
'Robiette, Raphaël'
'Berionni, Guillaume'
_publ_section_title
;
 Sterically hindered ortho-substituted phosphatriptycenes as
 configurationally stable P-chirogenic triarylphosphines.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4772
_journal_page_last               4777
_journal_paper_doi               10.1039/d1dt00816a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C32 H19 Cl2 O4 P'
_chemical_formula_sum            'C32 H19 Cl2 O4 P'
_chemical_formula_weight         569.34
_chemical_name_common
; phenyl 6-chloro-5-[2-chloro-6-(phenoxycarbonyl)phenyl]-5H-
benzo[b]phosphindole-1-carboxylate
;
_chemical_name_systematic
; phenyl 6-chloro-5-[2-chloro-6-(phenoxycarbonyl)phenyl]-5H-
benzo[b]phosphindole-1-carboxylate
;
_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
_atom_sites_solution_secondary   dual
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-02-08 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                106.886(3)
_cell_angle_beta                 96.369(3)
_cell_angle_gamma                92.054(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7704(4)
_cell_length_b                   9.6774(3)
_cell_length_c                   16.3912(4)
_cell_measurement_reflns_used    5157
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      30.1780
_cell_measurement_theta_min      2.6170
_cell_volume                     1319.61(8)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.3712
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur, Ruby, Gemini ultra
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12095
_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         26.370
_diffrn_reflns_theta_min         2.205
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.345
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_description       plate
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.046
_refine_diff_density_max         0.331
_refine_diff_density_min         -0.188
_refine_diff_density_rms         0.036
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5383
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0381
_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)+(0.0463P)²+0.1892P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.1020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4209
_reflns_number_total             5383
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00816a2.cif
_cod_data_source_block           nt0325_LH104
_cod_depositor_comments
'Adding full bibliography for 7706848--7706861.cif.'
_cod_original_cell_volume        1319.60(9)
_cod_database_code               7706849
_shelx_shelxl_version_number     2018/1
_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   0.841
_shelx_estimated_absorpt_t_max   0.984
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
Cl1 Cl 1.04008(7) 0.48284(7) 0.19230(4) 0.07222(18) Uani 1 1 d . . . . .
Cl2 Cl 0.90997(6) 0.36738(6) 0.40623(3) 0.05836(16) Uani 1 1 d . . . . .
P1 P 0.68800(6) 0.45579(5) 0.24469(3) 0.04388(14) Uani 1 1 d . . . . .
O1 O 0.56317(19) 0.84163(14) 0.60719(8) 0.0615(4) Uani 1 1 d . . . . .
O2 O 0.65966(17) 0.95273(14) 0.51993(8) 0.0551(3) Uani 1 1 d . . . . .
O3 O 0.6125(2) 0.1574(2) 0.02641(10) 0.0991(6) Uani 1 1 d . . . . .
O4 O 0.45290(17) 0.22732(15) 0.12625(8) 0.0588(4) Uani 1 1 d . . . . .
C1 C 0.5002(3) 1.0773(2) 0.68890(14) 0.0686(6) Uani 1 1 d . . . . .
H1 H 0.417726 1.074113 0.647349 0.082 Uiso 1 1 calc R U . . .
C2 C 0.5280(4) 1.1937(3) 0.76252(16) 0.0813(8) Uani 1 1 d . . . . .
H2 H 0.463412 1.269417 0.770785 0.098 Uiso 1 1 calc R U . . .
C3 C 0.6494(4) 1.1984(3) 0.82310(15) 0.0855(9) Uani 1 1 d . . . . .
H3 H 0.667259 1.276467 0.872822 0.103 Uiso 1 1 calc R U . . .
C4 C 0.7442(4) 1.0879(3) 0.81021(16) 0.0900(9) Uani 1 1 d . . . . .
H4 H 0.828005 1.091670 0.851093 0.108 Uiso 1 1 calc R U . . .
C5 C 0.7181(3) 0.9710(2) 0.73770(15) 0.0734(7) Uani 1 1 d . . . . .
H5 H 0.782933 0.895511 0.729392 0.088 Uiso 1 1 calc R U . . .
C6 C 0.5959(3) 0.9674(2) 0.67837(12) 0.0532(5) Uani 1 1 d . . . . .
C7 C 0.6004(2) 0.84636(19) 0.53013(11) 0.0445(4) Uani 1 1 d . . . . .
C8 C 0.5533(2) 0.70599(18) 0.46294(11) 0.0422(4) Uani 1 1 d . . . . .
C9 C 0.4113(2) 0.6400(2) 0.46562(13) 0.0516(5) Uani 1 1 d . . . . .
H9 H 0.356062 0.680655 0.510909 0.062 Uiso 1 1 calc R U . . .
C10 C 0.3501(2) 0.5155(2) 0.40278(13) 0.0544(5) Uani 1 1 d . . . . .
H10 H 0.254828 0.473603 0.406140 0.065 Uiso 1 1 calc R U . . .
C11 C 0.4301(2) 0.4537(2) 0.33526(12) 0.0492(5) Uani 1 1 d . . . . .
H11 H 0.387956 0.371647 0.291906 0.059 Uiso 1 1 calc R U . . .
C12 C 0.5743(2) 0.51502(18) 0.33249(11) 0.0414(4) Uani 1 1 d . . . . .
C13 C 0.8416(2) 0.58670(18) 0.30577(11) 0.0424(4) Uani 1 1 d . . . . .
C14 C 0.9861(2) 0.6064(2) 0.28285(12) 0.0483(5) Uani 1 1 d . . . . .
C15 C 1.0902(2) 0.7167(2) 0.33264(14) 0.0556(5) Uani 1 1 d . . . . .
H15 H 1.186895 0.729508 0.316541 0.067 Uiso 1 1 calc R U . . .
C16 C 1.0475(2) 0.8078(2) 0.40695(14) 0.0577(5) Uani 1 1 d . . . . .
H16 H 1.117449 0.881541 0.441695 0.069 Uiso 1 1 calc R U . . .
C17 C 0.9035(2) 0.7924(2) 0.43106(13) 0.0505(5) Uani 1 1 d . . . . .
H17 H 0.877613 0.855821 0.481317 0.061 Uiso 1 1 calc R U . . .
C18 C 0.7966(2) 0.68221(18) 0.38058(11) 0.0403(4) Uani 1 1 d . . . . .
C19 C 0.6403(2) 0.64177(17) 0.39601(10) 0.0394(4) Uani 1 1 d . . . . .
C20 C 0.7454(2) 0.27463(19) 0.24551(11) 0.0433(4) Uani 1 1 d . . . . .
C21 C 0.8402(2) 0.2385(2) 0.30952(11) 0.0481(4) Uani 1 1 d . . . . .
C22 C 0.8832(3) 0.0991(2) 0.29999(14) 0.0666(6) Uani 1 1 d . . . . .
H22 H 0.946185 0.078561 0.343869 0.080 Uiso 1 1 calc R U . . .
C23 C 0.8327(3) -0.0083(2) 0.22577(17) 0.0812(8) Uani 1 1 d . . . . .
H23 H 0.861677 -0.102044 0.219254 0.097 Uiso 1 1 calc R U . . .
C24 C 0.7394(3) 0.0213(2) 0.16077(15) 0.0717(7) Uani 1 1 d . . . . .
H24 H 0.706537 -0.051984 0.110129 0.086 Uiso 1 1 calc R U . . .
C25 C 0.6943(2) 0.1604(2) 0.17075(12) 0.0513(5) Uani 1 1 d . . . . .
C26 C 0.5870(3) 0.1822(2) 0.09893(12) 0.0586(5) Uani 1 1 d . . . . .
C27 C 0.3352(3) 0.2569(2) 0.06892(12) 0.0555(5) Uani 1 1 d . . . . .
C28 C 0.1929(3) 0.1900(2) 0.06300(14) 0.0651(6) Uani 1 1 d . . . . .
H28 H 0.178322 0.123109 0.092754 0.078 Uiso 1 1 calc R U . . .
C29 C 0.0704(3) 0.2225(3) 0.01241(15) 0.0742(7) Uani 1 1 d . . . . .
H29 H -0.027062 0.178072 0.008563 0.089 Uiso 1 1 calc R U . . .
C30 C 0.0927(3) 0.3198(3) -0.03184(15) 0.0780(7) Uani 1 1 d . . . . .
H30 H 0.010772 0.341027 -0.066233 0.094 Uiso 1 1 calc R U . . .
C31 C 0.2349(4) 0.3855(3) -0.02552(17) 0.0866(8) Uani 1 1 d . . . . .
H31 H 0.249473 0.451651 -0.055756 0.104 Uiso 1 1 calc R U . . .
C32 C 0.3593(3) 0.3550(3) 0.02567(16) 0.0778(7) Uani 1 1 d . . . . .
H32 H 0.456352 0.400579 0.030201 0.093 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'
Cl Cl 0.1484 0.1585 '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
C13 P1 C12 89.29(8) . . ?
C13 P1 C20 107.84(8) . . ?
C12 P1 C20 105.80(8) . . ?
C7 O1 C6 118.41(14) . . ?
C26 O4 C27 120.22(15) . . ?
C6 C1 C2 118.7(2) . . ?
C6 C1 H1 120.6 . . ?
C2 C1 H1 120.6 . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C4 C3 C2 119.4(2) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 120.9(2) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 118.9(2) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C5 C6 C1 121.5(2) . . ?
C5 C6 O1 118.4(2) . . ?
C1 C6 O1 120.0(2) . . ?
O2 C7 O1 122.60(16) . . ?
O2 C7 C8 126.76(16) . . ?
O1 C7 C8 110.62(15) . . ?
C9 C8 C19 119.34(16) . . ?
C9 C8 C7 116.57(17) . . ?
C19 C8 C7 124.02(16) . . ?
C10 C9 C8 121.77(19) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C11 C10 C9 120.01(18) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 119.34(17) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C11 C12 C19 121.93(17) . . ?
C11 C12 P1 124.93(14) . . ?
C19 C12 P1 112.85(13) . . ?
C14 C13 C18 120.16(16) . . ?
C14 C13 P1 127.00(14) . . ?
C18 C13 P1 112.64(13) . . ?
C15 C14 C13 121.41(18) . . ?
C15 C14 Cl1 119.63(16) . . ?
C13 C14 Cl1 118.87(15) . . ?
C14 C15 C16 118.36(19) . . ?
C14 C15 H15 120.8 . . ?
C16 C15 H15 120.8 . . ?
C15 C16 C17 121.67(19) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C16 C17 C18 120.44(18) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C13 117.92(17) . . ?
C17 C18 C19 129.47(16) . . ?
C13 C18 C19 112.48(15) . . ?
C8 C19 C12 117.53(16) . . ?
C8 C19 C18 130.82(15) . . ?
C12 C19 C18 111.63(15) . . ?
C21 C20 C25 116.12(17) . . ?
C21 C20 P1 127.77(14) . . ?
C25 C20 P1 116.00(13) . . ?
C22 C21 C20 122.24(18) . . ?
C22 C21 Cl2 116.27(15) . . ?
C20 C21 Cl2 121.49(15) . . ?
C23 C22 C21 119.7(2) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.4(2) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C25 119.9(2) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C20 121.55(19) . . ?
C24 C25 C26 116.66(18) . . ?
C20 C25 C26 121.79(17) . . ?
O3 C26 O4 124.0(2) . . ?
O3 C26 C25 125.2(2) . . ?
O4 C26 C25 110.70(17) . . ?
C32 C27 C28 121.2(2) . . ?
C32 C27 O4 121.7(2) . . ?
C28 C27 O4 116.92(18) . . ?
C27 C28 C29 119.6(2) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C30 C29 C28 120.0(2) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C31 C30 C29 119.9(2) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 120.9(2) . . ?
C30 C31 H31 119.5 . . ?
C32 C31 H31 119.5 . . ?
C27 C32 C31 118.4(2) . . ?
C27 C32 H32 120.8 . . ?
C31 C32 H32 120.8 . . ?
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
Cl1 C14 1.7381(19) . ?
Cl2 C21 1.7389(19) . ?
P1 C13 1.8066(18) . ?
P1 C12 1.8095(19) . ?
P1 C20 1.8445(18) . ?
O1 C7 1.352(2) . ?
O1 C6 1.415(2) . ?
O2 C7 1.199(2) . ?
O3 C26 1.191(2) . ?
O4 C26 1.347(3) . ?
O4 C27 1.412(2) . ?
C1 C6 1.362(3) . ?
C1 C2 1.382(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.363(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.361(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.357(3) . ?
C5 H5 0.9300 . ?
C7 C8 1.489(2) . ?
C8 C9 1.390(3) . ?
C8 C19 1.412(2) . ?
C9 C10 1.382(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.376(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.389(3) . ?
C11 H11 0.9300 . ?
C12 C19 1.413(2) . ?
C13 C14 1.384(3) . ?
C13 C18 1.410(2) . ?
C14 C15 1.378(3) . ?
C15 C16 1.379(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.380(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.394(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.481(2) . ?
C20 C21 1.398(3) . ?
C20 C25 1.407(2) . ?
C21 C22 1.383(3) . ?
C22 C23 1.368(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.374(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.386(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.493(3) . ?
C27 C32 1.363(3) . ?
C27 C28 1.366(3) . ?
C28 C29 1.385(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.366(3) . ?
C29 H29 0.9300 . ?
C30 C31 1.359(4) . ?
C30 H30 0.9300 . ?
C31 C32 1.394(4) . ?
C31 H31 0.9300 . ?
C32 H32 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
C6 C1 C2 C3 0.3(4) . . . . ?
C1 C2 C3 C4 0.6(4) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C4 C5 C6 C1 0.6(4) . . . . ?
C4 C5 C6 O1 -175.3(2) . . . . ?
C2 C1 C6 C5 -0.9(4) . . . . ?
C2 C1 C6 O1 174.9(2) . . . . ?
C7 O1 C6 C5 -104.3(2) . . . . ?
C7 O1 C6 C1 79.8(3) . . . . ?
C6 O1 C7 O2 -0.1(3) . . . . ?
C6 O1 C7 C8 -178.38(17) . . . . ?
O2 C7 C8 C9 -137.3(2) . . . . ?
O1 C7 C8 C9 40.9(2) . . . . ?
O2 C7 C8 C19 39.7(3) . . . . ?
O1 C7 C8 C19 -142.11(17) . . . . ?
C19 C8 C9 C10 -2.3(3) . . . . ?
C7 C8 C9 C10 174.81(17) . . . . ?
C8 C9 C10 C11 0.0(3) . . . . ?
C9 C10 C11 C12 2.0(3) . . . . ?
C10 C11 C12 C19 -1.7(3) . . . . ?
C10 C11 C12 P1 -175.11(14) . . . . ?
C13 P1 C12 C11 -176.27(16) . . . . ?
C20 P1 C12 C11 -67.92(17) . . . . ?
C13 P1 C12 C19 9.75(13) . . . . ?
C20 P1 C12 C19 118.10(13) . . . . ?
C12 P1 C13 C14 176.08(17) . . . . ?
C20 P1 C13 C14 69.70(17) . . . . ?
C12 P1 C13 C18 -9.13(13) . . . . ?
C20 P1 C13 C18 -115.51(13) . . . . ?
C18 C13 C14 C15 1.2(3) . . . . ?
P1 C13 C14 C15 175.68(14) . . . . ?
C18 C13 C14 Cl1 177.77(13) . . . . ?
P1 C13 C14 Cl1 -7.8(2) . . . . ?
C13 C14 C15 C16 0.4(3) . . . . ?
Cl1 C14 C15 C16 -176.09(15) . . . . ?
C14 C15 C16 C17 -1.3(3) . . . . ?
C15 C16 C17 C18 0.5(3) . . . . ?
C16 C17 C18 C13 1.2(3) . . . . ?
C16 C17 C18 C19 176.81(18) . . . . ?
C14 C13 C18 C17 -2.0(3) . . . . ?
P1 C13 C18 C17 -177.20(13) . . . . ?
C14 C13 C18 C19 -178.36(15) . . . . ?
P1 C13 C18 C19 6.45(18) . . . . ?
C9 C8 C19 C12 2.5(2) . . . . ?
C7 C8 C19 C12 -174.36(16) . . . . ?
C9 C8 C19 C18 -175.53(17) . . . . ?
C7 C8 C19 C18 7.6(3) . . . . ?
C11 C12 C19 C8 -0.6(2) . . . . ?
P1 C12 C19 C8 173.58(12) . . . . ?
C11 C12 C19 C18 177.81(16) . . . . ?
P1 C12 C19 C18 -8.01(18) . . . . ?
C17 C18 C19 C8 3.3(3) . . . . ?
C13 C18 C19 C8 179.14(17) . . . . ?
C17 C18 C19 C12 -174.82(17) . . . . ?
C13 C18 C19 C12 1.0(2) . . . . ?
C13 P1 C20 C21 29.88(19) . . . . ?
C12 P1 C20 C21 -64.56(18) . . . . ?
C13 P1 C20 C25 -146.34(15) . . . . ?
C12 P1 C20 C25 119.22(15) . . . . ?
C25 C20 C21 C22 0.7(3) . . . . ?
P1 C20 C21 C22 -175.56(17) . . . . ?
C25 C20 C21 Cl2 -178.97(15) . . . . ?
P1 C20 C21 Cl2 4.8(3) . . . . ?
C20 C21 C22 C23 0.2(4) . . . . ?
Cl2 C21 C22 C23 179.9(2) . . . . ?
C21 C22 C23 C24 -0.1(4) . . . . ?
C22 C23 C24 C25 -0.9(4) . . . . ?
C23 C24 C25 C20 1.8(4) . . . . ?
C23 C24 C25 C26 -177.2(2) . . . . ?
C21 C20 C25 C24 -1.7(3) . . . . ?
P1 C20 C25 C24 175.01(18) . . . . ?
C21 C20 C25 C26 177.30(18) . . . . ?
P1 C20 C25 C26 -6.0(3) . . . . ?
C27 O4 C26 O3 -4.0(3) . . . . ?
C27 O4 C26 C25 179.01(16) . . . . ?
C24 C25 C26 O3 -58.7(3) . . . . ?
C20 C25 C26 O3 122.3(3) . . . . ?
C24 C25 C26 O4 118.2(2) . . . . ?
C20 C25 C26 O4 -60.8(3) . . . . ?
C26 O4 C27 C32 -56.9(3) . . . . ?
C26 O4 C27 C28 127.4(2) . . . . ?
C32 C27 C28 C29 -0.2(3) . . . . ?
O4 C27 C28 C29 175.5(2) . . . . ?
C27 C28 C29 C30 0.7(3) . . . . ?
C28 C29 C30 C31 -0.6(4) . . . . ?
C29 C30 C31 C32 0.0(4) . . . . ?
C28 C27 C32 C31 -0.3(4) . . . . ?
O4 C27 C32 C31 -175.9(2) . . . . ?
C30 C31 C32 C27 0.4(4) . . . . ?
