#------------------------------------------------------------------------------
#$Date: 2021-09-06 12:32:22 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268580 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/85/7128559.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_7128559
loop_
_publ_author_name
'Mokrai, Réka'
'Mocanu, Anabella'
'Duffy, Matthew P.'
'Vives, Thomas'
'Caytan, Elsa'
'Dorcet, Vincent'
'Roisnel, Thierry'
'Nyulászi, László'
'Benkő, Zoltán'
'Bouit, Pierre-Antoine'
'Hissler, Muriel'
_publ_section_title
;
 Stereospecific synthesis of chiral P-containing polyaromatics based on
 7-membered P-rings.
;
_journal_issue                   59
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7256
_journal_page_last               7259
_journal_paper_doi               10.1039/d1cc02293h
_journal_volume                  57
_journal_year                    2021
_chemical_absolute_configuration rm/ad/rmad/syn/unk/.
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C32 H19 O P, C H2 Cl2'
_chemical_formula_sum            'C33 H21 Cl2 O P'
_chemical_formula_weight         535.37
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2019-06-06 deposited with the CCDC.	2021-06-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.636(3)
_cell_length_b                   14.154(3)
_cell_length_c                   15.569(3)
_cell_measurement_reflns_used    3600
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.2386
_cell_measurement_theta_min      2.2659
_cell_measurement_wavelength     0.71073
_cell_volume                     2564.2(10)
_computing_cell_refinement       'APEX3 (Bruker, 2015); SAINT (Bruker, 2014)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
'SXGRAPH (Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2018)'
_computing_structure_refinement  'SHELXL-2017_1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17033
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.479
_diffrn_reflns_theta_min         2.986
_exptl_absorpt_coefficient_mu    0.342
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_correction_T_min  0.773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_description       prism
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.550
_exptl_crystal_size_min          0.420
_refine_diff_density_max         1.448
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.081
_refine_ls_abs_structure_details
;
Flack x determined using 1207 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.12(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         5854
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0794
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1643P)²+0.5865P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2281
_refine_ls_wR_factor_ref         0.2668
_reflns_Friedel_coverage         0.781
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                3824
_reflns_number_total             5854
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1cc02293h2.cif
_cod_data_source_block           RM100
_cod_depositor_comments
'Adding full bibliography for 7128555--7128561.cif.'
_cod_original_cell_volume        2564.0(9)
_cod_database_code               7128559
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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 0.57417(17) 0.50756(11) 0.50478(10) 0.0445(5) Uani 1 1 d . . . . .
O1 O 0.6085(5) 0.5609(4) 0.5825(3) 0.0648(15) Uani 1 1 d . . . . .
C1 C 0.5327(4) 0.3885(3) 0.5303(3) 0.0446(16) Uani 1 1 d G . . . .
C2 C 0.6198(4) 0.3305(4) 0.5613(3) 0.061(2) Uani 1 1 d G . . . .
H2 H 0.696257 0.353798 0.565107 0.073 Uiso 1 1 calc R U . . .
C3 C 0.5952(5) 0.2386(3) 0.5866(4) 0.081(3) Uani 1 1 d G . . . .
H3 H 0.654702 0.199001 0.607785 0.097 Uiso 1 1 calc R U . . .
C4 C 0.4833(6) 0.2046(3) 0.5810(4) 0.086(3) Uani 1 1 d G . . . .
H4 H 0.466479 0.141713 0.598343 0.103 Uiso 1 1 calc R U . . .
C5 C 0.3962(5) 0.2625(4) 0.5501(4) 0.092(4) Uani 1 1 d G . . . .
H5 H 0.319810 0.239221 0.546223 0.110 Uiso 1 1 calc R U . . .
C6 C 0.4209(4) 0.3544(4) 0.5247(3) 0.062(2) Uani 1 1 d G . . . .
H6 H 0.361363 0.394018 0.503545 0.075 Uiso 1 1 calc R U . . .
C7 C 0.6850(6) 0.5003(4) 0.4254(4) 0.0406(14) Uani 1 1 d . . . . .
C8 C 0.7901(6) 0.5434(5) 0.4399(5) 0.0536(18) Uani 1 1 d . . . . .
H8 H 0.805847 0.572064 0.493835 0.064 Uiso 1 1 calc R U . . .
C9 C 0.8732(7) 0.5445(5) 0.3746(6) 0.060(2) Uani 1 1 d . . . . .
H9 H 0.946135 0.572796 0.384220 0.072 Uiso 1 1 calc R U . . .
C10 C 0.8479(6) 0.5046(5) 0.2975(6) 0.0579(19) Uani 1 1 d . . . . .
H10 H 0.902831 0.508013 0.252461 0.069 Uiso 1 1 calc R U . . .
C11 C 0.7470(6) 0.4604(5) 0.2831(5) 0.0515(17) Uani 1 1 d . . . . .
H11 H 0.733667 0.430973 0.229167 0.062 Uiso 1 1 calc R U . . .
C12 C 0.6610(5) 0.4571(4) 0.3471(4) 0.0376(13) Uani 1 1 d . . . . .
C13 C 0.5538(5) 0.4053(4) 0.3262(4) 0.0369(13) Uani 1 1 d . . . . .
C14 C 0.5742(7) 0.3132(5) 0.2919(4) 0.0478(16) Uani 1 1 d . . . . .
H14 H 0.649868 0.288083 0.292811 0.057 Uiso 1 1 calc R U . . .
C15 C 0.4875(7) 0.2606(5) 0.2578(5) 0.0509(18) Uani 1 1 d . . . . .
H15 H 0.501994 0.197669 0.239569 0.061 Uiso 1 1 calc R U . . .
C16 C 0.3769(6) 0.2987(5) 0.2496(4) 0.0483(16) Uani 1 1 d . . . . .
C17 C 0.2896(8) 0.2479(6) 0.2061(5) 0.063(2) Uani 1 1 d . . . . .
H17 H 0.302990 0.184920 0.187383 0.075 Uiso 1 1 calc R U . . .
C18 C 0.1859(7) 0.2902(6) 0.1913(5) 0.063(2) Uani 1 1 d . . . . .
H18 H 0.126416 0.255214 0.164079 0.076 Uiso 1 1 calc R U . . .
C19 C 0.1660(6) 0.3815(6) 0.2146(5) 0.0536(18) Uani 1 1 d . . . . .
H19 H 0.094839 0.410489 0.200404 0.064 Uiso 1 1 calc R U . . .
C20 C 0.2491(5) 0.4326(5) 0.2592(4) 0.0412(14) Uani 1 1 d . . . . .
C21 C 0.3541(6) 0.3903(4) 0.2810(4) 0.0377(13) Uani 1 1 d . . . . .
C22 C 0.4422(5) 0.4407(4) 0.3284(4) 0.0355(13) Uani 1 1 d . . . . .
C23 C 0.4060(5) 0.5267(4) 0.3739(4) 0.0359(13) Uani 1 1 d . . . . .
C24 C 0.3047(5) 0.5750(4) 0.3421(4) 0.0392(14) Uani 1 1 d . . . . .
C25 C 0.2300(5) 0.5328(5) 0.2812(4) 0.0444(15) Uani 1 1 d . . . . .
C26 C 0.1392(6) 0.5865(6) 0.2485(5) 0.058(2) Uani 1 1 d . . . . .
H26 H 0.090211 0.558549 0.206826 0.070 Uiso 1 1 calc R U . . .
C27 C 0.1179(8) 0.6763(7) 0.2735(6) 0.071(3) Uani 1 1 d . . . . .
H27 H 0.058602 0.711365 0.246145 0.085 Uiso 1 1 calc R U . . .
C28 C 0.1818(8) 0.7178(6) 0.3387(7) 0.073(3) Uani 1 1 d . . . . .
H28 H 0.162215 0.778872 0.359469 0.087 Uiso 1 1 calc R U . . .
C29 C 0.2777(6) 0.6675(5) 0.3745(5) 0.0498(18) Uani 1 1 d . . . . .
C30 C 0.3431(8) 0.7040(5) 0.4438(6) 0.068(2) Uani 1 1 d . . . . .
H30 H 0.326281 0.765187 0.465592 0.082 Uiso 1 1 calc R U . . .
C31 C 0.4294(7) 0.6529(5) 0.4795(5) 0.0559(18) Uani 1 1 d . . . . .
H31 H 0.469982 0.677566 0.527449 0.067 Uiso 1 1 calc R U . . .
C32 C 0.4597(6) 0.5638(4) 0.4463(4) 0.0418(14) Uani 1 1 d . . . . .
C51 C 0.4162(10) 0.5674(8) 0.0981(7) 0.089(3) Uani 1 1 d . . . . .
H51A H 0.412909 0.631298 0.072239 0.107 Uiso 1 1 calc R U . . .
H51B H 0.368479 0.568035 0.150718 0.107 Uiso 1 1 calc R U . . .
Cl1 Cl 0.3597(4) 0.4861(4) 0.0260(3) 0.170(2) Uani 1 1 d . . . . .
Cl2 Cl 0.5560(4) 0.5420(4) 0.1253(2) 0.1391(15) Uani 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 '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
O1 P1 C7 113.5(3) . . ?
O1 P1 C1 111.7(3) . . ?
C7 P1 C1 107.0(2) . . ?
O1 P1 C32 112.8(3) . . ?
C7 P1 C32 102.1(3) . . ?
C1 P1 C32 109.1(3) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 P1 115.7(3) . . ?
C6 C1 P1 124.2(3) . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C8 C7 C12 120.9(6) . . ?
C8 C7 P1 119.9(5) . . ?
C12 C7 P1 119.1(5) . . ?
C7 C8 C9 119.7(7) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C10 C9 C8 119.1(7) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C11 C10 C9 121.9(8) . . ?
C11 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?
C10 C11 C12 121.0(7) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C7 C12 C11 117.4(6) . . ?
C7 C12 C13 125.3(6) . . ?
C11 C12 C13 117.2(6) . . ?
C22 C13 C14 119.5(6) . . ?
C22 C13 C12 126.9(5) . . ?
C14 C13 C12 113.2(6) . . ?
C15 C14 C13 121.5(7) . . ?
C15 C14 H14 119.3 . . ?
C13 C14 H14 119.3 . . ?
C14 C15 C16 120.4(6) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C15 C16 C21 119.7(6) . . ?
C15 C16 C17 120.4(7) . . ?
C21 C16 C17 119.8(7) . . ?
C18 C17 C16 119.4(7) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C19 C18 C17 121.4(7) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C20 120.5(7) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C21 120.3(6) . . ?
C19 C20 C25 120.7(6) . . ?
C21 C20 C25 119.0(6) . . ?
C20 C21 C16 118.2(6) . . ?
C20 C21 C22 121.9(5) . . ?
C16 C21 C22 119.7(6) . . ?
C13 C22 C21 118.0(5) . . ?
C13 C22 C23 125.2(5) . . ?
C21 C22 C23 116.8(5) . . ?
C32 C23 C24 117.6(5) . . ?
C32 C23 C22 125.1(5) . . ?
C24 C23 C22 117.3(5) . . ?
C25 C24 C29 118.9(6) . . ?
C25 C24 C23 121.9(5) . . ?
C29 C24 C23 119.2(6) . . ?
C26 C25 C24 118.6(7) . . ?
C26 C25 C20 123.4(7) . . ?
C24 C25 C20 117.9(5) . . ?
C27 C26 C25 123.0(8) . . ?
C27 C26 H26 118.5 . . ?
C25 C26 H26 118.5 . . ?
C26 C27 C28 120.6(8) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C27 C28 C29 119.3(8) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C30 C29 C28 122.1(7) . . ?
C30 C29 C24 118.7(6) . . ?
C28 C29 C24 119.1(7) . . ?
C31 C30 C29 121.0(6) . . ?
C31 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C30 C31 C32 120.9(7) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C23 C32 C31 121.5(6) . . ?
C23 C32 P1 125.1(5) . . ?
C31 C32 P1 113.3(5) . . ?
Cl2 C51 Cl1 112.2(7) . . ?
Cl2 C51 H51A 109.2 . . ?
Cl1 C51 H51A 109.2 . . ?
Cl2 C51 H51B 109.2 . . ?
Cl1 C51 H51B 109.2 . . ?
H51A C51 H51B 107.9 . . ?
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 O1 1.481(5) . ?
P1 C7 1.789(7) . ?
P1 C1 1.798(4) . ?
P1 C32 1.799(7) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C2 H2 0.9500 . ?
C3 C4 1.3900 . ?
C3 H3 0.9500 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 C6 1.3900 . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.386(9) . ?
C7 C12 1.392(9) . ?
C8 C9 1.403(12) . ?
C8 H8 0.9500 . ?
C9 C10 1.359(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.349(11) . ?
C10 H10 0.9500 . ?
C11 C12 1.413(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.482(9) . ?
C13 C22 1.393(9) . ?
C13 C14 1.429(8) . ?
C14 C15 1.361(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.401(11) . ?
C15 H15 0.9500 . ?
C16 C21 1.411(9) . ?
C16 C17 1.418(10) . ?
C17 C18 1.367(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.362(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.402(9) . ?
C20 C25 1.476(10) . ?
C21 C22 1.451(8) . ?
C22 C23 1.469(8) . ?
C23 C32 1.392(9) . ?
C23 C24 1.449(8) . ?
C24 C25 1.418(10) . ?
C24 C29 1.438(9) . ?
C25 C26 1.398(10) . ?
C26 C27 1.353(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.389(14) . ?
C27 H27 0.9500 . ?
C28 C29 1.436(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.419(12) . ?
C30 C31 1.357(12) . ?
C30 H30 0.9500 . ?
C31 C32 1.407(9) . ?
C31 H31 0.9500 . ?
C51 Cl2 1.720(12) . ?
C51 Cl1 1.737(12) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
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
O1 P1 C1 C2 -66.1(4) . . . . ?
C7 P1 C1 C2 58.8(3) . . . . ?
C32 P1 C1 C2 168.5(3) . . . . ?
O1 P1 C1 C6 110.8(4) . . . . ?
C7 P1 C1 C6 -124.4(3) . . . . ?
C32 P1 C1 C6 -14.6(4) . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
P1 C1 C2 C3 177.0(3) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
P1 C1 C6 C5 -176.7(4) . . . . ?
O1 P1 C7 C8 -0.7(6) . . . . ?
C1 P1 C7 C8 -124.4(5) . . . . ?
C32 P1 C7 C8 121.0(5) . . . . ?
O1 P1 C7 C12 -175.9(5) . . . . ?
C1 P1 C7 C12 60.3(5) . . . . ?
C32 P1 C7 C12 -54.3(5) . . . . ?
C12 C7 C8 C9 0.7(10) . . . . ?
P1 C7 C8 C9 -174.5(5) . . . . ?
C7 C8 C9 C10 1.2(10) . . . . ?
C8 C9 C10 C11 -2.9(11) . . . . ?
C9 C10 C11 C12 2.7(11) . . . . ?
C8 C7 C12 C11 -0.9(9) . . . . ?
P1 C7 C12 C11 174.3(4) . . . . ?
C8 C7 C12 C13 177.0(6) . . . . ?
P1 C7 C12 C13 -7.7(8) . . . . ?
C10 C11 C12 C7 -0.7(9) . . . . ?
C10 C11 C12 C13 -178.8(6) . . . . ?
C7 C12 C13 C22 58.5(9) . . . . ?
C11 C12 C13 C22 -123.5(7) . . . . ?
C7 C12 C13 C14 -128.5(6) . . . . ?
C11 C12 C13 C14 49.5(8) . . . . ?
C22 C13 C14 C15 2.9(10) . . . . ?
C12 C13 C14 C15 -170.7(6) . . . . ?
C13 C14 C15 C16 4.9(11) . . . . ?
C14 C15 C16 C21 -3.4(11) . . . . ?
C14 C15 C16 C17 173.3(7) . . . . ?
C15 C16 C17 C18 -173.5(8) . . . . ?
C21 C16 C17 C18 3.3(12) . . . . ?
C16 C17 C18 C19 2.4(13) . . . . ?
C17 C18 C19 C20 -3.9(12) . . . . ?
C18 C19 C20 C21 -0.4(10) . . . . ?
C18 C19 C20 C25 177.2(7) . . . . ?
C19 C20 C21 C16 5.9(9) . . . . ?
C25 C20 C21 C16 -171.8(6) . . . . ?
C19 C20 C21 C22 -179.1(6) . . . . ?
C25 C20 C21 C22 3.2(8) . . . . ?
C15 C16 C21 C20 169.4(6) . . . . ?
C17 C16 C21 C20 -7.3(9) . . . . ?
C15 C16 C21 C22 -5.6(10) . . . . ?
C17 C16 C21 C22 177.6(6) . . . . ?
C14 C13 C22 C21 -11.6(8) . . . . ?
C12 C13 C22 C21 160.9(6) . . . . ?
C14 C13 C22 C23 169.7(6) . . . . ?
C12 C13 C22 C23 -17.8(9) . . . . ?
C20 C21 C22 C13 -161.8(6) . . . . ?
C16 C21 C22 C13 13.1(8) . . . . ?
C20 C21 C22 C23 17.0(8) . . . . ?
C16 C21 C22 C23 -168.1(6) . . . . ?
C13 C22 C23 C32 -27.4(9) . . . . ?
C21 C22 C23 C32 153.8(6) . . . . ?
C13 C22 C23 C24 154.4(6) . . . . ?
C21 C22 C23 C24 -24.3(8) . . . . ?
C32 C23 C24 C25 -166.1(6) . . . . ?
C22 C23 C24 C25 12.1(8) . . . . ?
C32 C23 C24 C29 12.5(8) . . . . ?
C22 C23 C24 C29 -169.2(5) . . . . ?
C29 C24 C25 C26 6.4(9) . . . . ?
C23 C24 C25 C26 -175.0(6) . . . . ?
C29 C24 C25 C20 -170.6(6) . . . . ?
C23 C24 C25 C20 8.1(8) . . . . ?
C19 C20 C25 C26 -10.4(9) . . . . ?
C21 C20 C25 C26 167.3(6) . . . . ?
C19 C20 C25 C24 166.4(6) . . . . ?
C21 C20 C25 C24 -16.0(8) . . . . ?
C24 C25 C26 C27 -1.3(10) . . . . ?
C20 C25 C26 C27 175.4(7) . . . . ?
C25 C26 C27 C28 -4.7(12) . . . . ?
C26 C27 C28 C29 5.5(12) . . . . ?
C27 C28 C29 C30 -177.1(7) . . . . ?
C27 C28 C29 C24 -0.4(11) . . . . ?
C25 C24 C29 C30 171.3(6) . . . . ?
C23 C24 C29 C30 -7.4(9) . . . . ?
C25 C24 C29 C28 -5.5(9) . . . . ?
C23 C24 C29 C28 175.8(6) . . . . ?
C28 C29 C30 C31 176.4(7) . . . . ?
C24 C29 C30 C31 -0.3(11) . . . . ?
C29 C30 C31 C32 2.7(12) . . . . ?
C24 C23 C32 C31 -10.4(9) . . . . ?
C22 C23 C32 C31 171.5(6) . . . . ?
C24 C23 C32 P1 171.5(4) . . . . ?
C22 C23 C32 P1 -6.7(9) . . . . ?
C30 C31 C32 C23 2.9(11) . . . . ?
C30 C31 C32 P1 -178.8(6) . . . . ?
O1 P1 C32 C23 -176.1(5) . . . . ?
C7 P1 C32 C23 61.7(6) . . . . ?
C1 P1 C32 C23 -51.3(6) . . . . ?
O1 P1 C32 C31 5.6(6) . . . . ?
C7 P1 C32 C31 -116.6(5) . . . . ?
C1 P1 C32 C31 130.4(5) . . . . ?
