#------------------------------------------------------------------------------
#$Date: 2021-09-06 12:32:22 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268580 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/85/7128560.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_7128560
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 ad
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C32 H21 O P'
_chemical_formula_sum            'C32 H21 O P'
_chemical_formula_weight         452.46
_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                   8.4045(5)
_cell_length_b                   15.4654(8)
_cell_length_c                   17.2962(11)
_cell_measurement_reflns_used    6006
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4554
_cell_measurement_theta_min      2.7583
_cell_measurement_wavelength     0.71073
_cell_volume                     2248.1(2)
_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-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_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  0.0357
_diffrn_reflns_av_unetI/netI     0.0515
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11309
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         3.380
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.850
_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    1.337
_exptl_crystal_description       prism
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.347
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details
;
Flack x determined using 1709 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.04(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5042
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0486P)²+0.9534P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1083
_reflns_Friedel_coverage         0.749
_reflns_Friedel_fraction_full    0.972
_reflns_Friedel_fraction_max     0.972
_reflns_number_gt                4434
_reflns_number_total             5042
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1cc02293h2.cif
_cod_data_source_block           RM102
_cod_depositor_comments
'Adding full bibliography for 7128555--7128561.cif.'
_cod_database_code               7128560
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
C1 C 0.7865(4) 0.17358(19) 0.75769(17) 0.0217(6) Uani 1 1 d . . . . .
C2 C 0.8871(4) 0.1695(2) 0.69315(19) 0.0261(6) Uani 1 1 d . . . . .
H2 H 0.945766 0.219166 0.677916 0.031 Uiso 1 1 calc R U . . .
C3 C 0.9011(4) 0.0939(2) 0.6517(2) 0.0320(8) Uani 1 1 d . . . . .
H3 H 0.970633 0.091054 0.608495 0.038 Uiso 1 1 calc R U . . .
C4 C 0.8137(4) 0.0218(2) 0.6733(2) 0.0362(9) Uani 1 1 d . . . . .
H4 H 0.820565 -0.029645 0.643472 0.043 Uiso 1 1 calc R U . . .
C5 C 0.7168(5) 0.0241(2) 0.7377(2) 0.0382(8) Uani 1 1 d . . . . .
H5 H 0.659546 -0.026058 0.752996 0.046 Uiso 1 1 calc R U . . .
C6 C 0.7034(4) 0.1004(2) 0.7801(2) 0.0312(8) Uani 1 1 d . . . . .
H6 H 0.637037 0.102162 0.824543 0.037 Uiso 1 1 calc R U . . .
C11 C 0.7549(3) 0.35638(18) 0.73217(16) 0.0193(6) Uani 1 1 d . . . . .
C12 C 0.8608(4) 0.4273(2) 0.73754(18) 0.0239(6) Uani 1 1 d . . . . .
H12 H 0.941446 0.427247 0.776000 0.029 Uiso 1 1 calc R U . . .
C13 C 0.8483(4) 0.49506(19) 0.68855(19) 0.0247(6) Uani 1 1 d . . . . .
H13 H 0.924449 0.540422 0.690552 0.030 Uiso 1 1 calc R U . . .
C14 C 0.7221(4) 0.49874(18) 0.63415(16) 0.0216(6) Uani 1 1 d . . . . .
C15 C 0.7022(4) 0.57114(19) 0.58460(18) 0.0267(7) Uani 1 1 d . . . . .
H15 H 0.777199 0.617031 0.586434 0.032 Uiso 1 1 calc R U . . .
C16 C 0.5776(4) 0.5760(2) 0.5345(2) 0.0303(7) Uani 1 1 d . . . . .
H16 H 0.566813 0.624572 0.501284 0.036 Uiso 1 1 calc R U . . .
C17 C 0.4656(4) 0.5092(2) 0.53234(19) 0.0279(7) Uani 1 1 d . . . . .
H17 H 0.376150 0.513893 0.499018 0.034 Uiso 1 1 calc R U . . .
C18 C 0.4830(4) 0.43711(19) 0.57750(18) 0.0236(7) Uani 1 1 d . . . . .
H18 H 0.406948 0.391814 0.574104 0.028 Uiso 1 1 calc R U . . .
C19 C 0.6124(4) 0.42921(18) 0.62904(17) 0.0197(6) Uani 1 1 d . . . . .
C20 C 0.6347(3) 0.35451(18) 0.67750(16) 0.0182(6) Uani 1 1 d . . . . .
C21 C 0.5768(4) 0.28538(19) 0.85052(17) 0.0204(6) Uani 1 1 d . . . . .
C22 C 0.5703(4) 0.3080(2) 0.92863(18) 0.0264(7) Uani 1 1 d . . . . .
H22 H 0.665867 0.314128 0.957410 0.032 Uiso 1 1 calc R U . . .
C23 C 0.4237(5) 0.3216(2) 0.9645(2) 0.0337(8) Uani 1 1 d . . . . .
H23 H 0.418922 0.335952 1.017869 0.040 Uiso 1 1 calc R U . . .
C24 C 0.2861(4) 0.3141(2) 0.9219(2) 0.0318(8) Uani 1 1 d . . . . .
H24 H 0.186305 0.323944 0.946060 0.038 Uiso 1 1 calc R U . . .
C25 C 0.2910(4) 0.29255(19) 0.84487(19) 0.0258(7) Uani 1 1 d . . . . .
H25 H 0.194448 0.287640 0.816652 0.031 Uiso 1 1 calc R U . . .
C26 C 0.4361(3) 0.27769(18) 0.80728(17) 0.0205(5) Uani 1 1 d . . . . .
C27 C 0.4372(4) 0.24455(19) 0.72669(17) 0.0220(6) Uani 1 1 d . . . . .
C28 C 0.3403(4) 0.1698(2) 0.71367(19) 0.0275(7) Uani 1 1 d . . . . .
H28 H 0.268285 0.151772 0.752801 0.033 Uiso 1 1 calc R U . . .
C29 C 0.3488(4) 0.1243(2) 0.6471(2) 0.0307(8) Uani 1 1 d . . . . .
H29 H 0.285266 0.073948 0.640811 0.037 Uiso 1 1 calc R U . . .
C30 C 0.4508(4) 0.1505(2) 0.58685(19) 0.0257(7) Uani 1 1 d . . . . .
C31 C 0.4638(4) 0.1018(2) 0.5174(2) 0.0334(8) Uani 1 1 d . . . . .
H31 H 0.405339 0.049524 0.512120 0.040 Uiso 1 1 calc R U . . .
C32 C 0.5582(4) 0.1287(2) 0.4589(2) 0.0333(8) Uani 1 1 d . . . . .
H32 H 0.565363 0.095619 0.412739 0.040 Uiso 1 1 calc R U . . .
C33 C 0.6456(4) 0.2055(2) 0.46635(19) 0.0298(7) Uani 1 1 d . . . . .
H33 H 0.709354 0.225006 0.424478 0.036 Uiso 1 1 calc R U . . .
C34 C 0.6401(4) 0.25287(18) 0.53343(17) 0.0227(6) Uani 1 1 d . . . . .
H34 H 0.704297 0.303148 0.538185 0.027 Uiso 1 1 calc R U . . .
C35 C 0.5405(3) 0.2281(2) 0.59565(17) 0.0205(6) Uani 1 1 d . . . . .
C36 C 0.5325(3) 0.27531(19) 0.66737(16) 0.0188(6) Uani 1 1 d . . . . .
O1 O 0.9024(3) 0.29237(15) 0.86234(13) 0.0293(5) Uani 1 1 d . . . . .
P1 P 0.77075(9) 0.27547(5) 0.80703(4) 0.01961(17) 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'
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
C6 C1 C2 119.3(3) . . ?
C6 C1 P1 123.1(2) . . ?
C2 C1 P1 117.5(2) . . ?
C3 C2 C1 120.3(3) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 119.9(3) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 119.6(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 120.2(3) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C20 C11 C12 121.3(3) . . ?
C20 C11 P1 122.0(2) . . ?
C12 C11 P1 116.3(2) . . ?
C13 C12 C11 120.7(3) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C12 C13 C14 120.3(3) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C19 C14 C13 119.8(3) . . ?
C19 C14 C15 118.9(3) . . ?
C13 C14 C15 121.4(3) . . ?
C16 C15 C14 121.3(3) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C15 C16 C17 119.6(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C18 C17 C16 121.0(3) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C17 C18 C19 120.9(3) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C18 C19 C14 118.3(3) . . ?
C18 C19 C20 122.5(3) . . ?
C14 C19 C20 119.2(3) . . ?
C11 C20 C19 118.4(3) . . ?
C11 C20 C36 120.8(2) . . ?
C19 C20 C36 120.7(2) . . ?
C22 C21 C26 120.2(3) . . ?
C22 C21 P1 117.4(2) . . ?
C26 C21 P1 122.2(2) . . ?
C23 C22 C21 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C22 119.4(3) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C25 C24 C23 121.0(3) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C26 121.0(3) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C25 C26 C21 118.2(3) . . ?
C25 C26 C27 119.8(3) . . ?
C21 C26 C27 121.6(3) . . ?
C36 C27 C28 119.3(3) . . ?
C36 C27 C26 125.5(3) . . ?
C28 C27 C26 115.0(3) . . ?
C29 C28 C27 121.6(3) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 120.8(3) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C29 C30 C31 121.2(3) . . ?
C29 C30 C35 119.1(3) . . ?
C31 C30 C35 119.7(3) . . ?
C32 C31 C30 120.9(3) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C31 C32 C33 120.0(3) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 120.8(3) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C33 C34 C35 121.2(3) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
C34 C35 C30 117.3(3) . . ?
C34 C35 C36 123.1(3) . . ?
C30 C35 C36 119.5(3) . . ?
C27 C36 C35 119.4(3) . . ?
C27 C36 C20 121.5(3) . . ?
C35 C36 C20 119.0(2) . . ?
O1 P1 C1 113.91(14) . . ?
O1 P1 C21 112.96(13) . . ?
C1 P1 C21 109.83(15) . . ?
O1 P1 C11 113.25(14) . . ?
C1 P1 C11 105.81(13) . . ?
C21 P1 C11 100.00(13) . . ?
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 C6 1.386(4) . ?
C1 C2 1.402(4) . ?
C1 P1 1.797(3) . ?
C2 C3 1.377(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C11 C20 1.384(4) . ?
C11 C12 1.415(4) . ?
C11 P1 1.806(3) . ?
C12 C13 1.352(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.419(4) . ?
C13 H13 0.9500 . ?
C14 C19 1.419(4) . ?
C14 C15 1.420(4) . ?
C15 C16 1.360(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.399(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.369(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.412(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.440(4) . ?
C20 C36 1.506(4) . ?
C21 C22 1.397(4) . ?
C21 C26 1.404(4) . ?
C21 P1 1.802(3) . ?
C22 C23 1.395(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.376(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.373(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.401(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.485(4) . ?
C27 C36 1.386(4) . ?
C27 C28 1.431(4) . ?
C28 C29 1.352(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.408(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.422(5) . ?
C30 C35 1.426(4) . ?
C31 C32 1.352(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.403(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.373(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.416(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.441(4) . ?
O1 P1 1.486(2) . ?
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 1.0(5) . . . . ?
P1 C1 C2 C3 -178.4(3) . . . . ?
C1 C2 C3 C4 0.9(5) . . . . ?
C2 C3 C4 C5 -2.4(6) . . . . ?
C3 C4 C5 C6 1.8(6) . . . . ?
C2 C1 C6 C5 -1.6(5) . . . . ?
P1 C1 C6 C5 177.8(3) . . . . ?
C4 C5 C6 C1 0.2(6) . . . . ?
C20 C11 C12 C13 -0.8(4) . . . . ?
P1 C11 C12 C13 -173.8(2) . . . . ?
C11 C12 C13 C14 4.2(4) . . . . ?
C12 C13 C14 C19 -2.6(4) . . . . ?
C12 C13 C14 C15 177.0(3) . . . . ?
C19 C14 C15 C16 2.1(5) . . . . ?
C13 C14 C15 C16 -177.5(3) . . . . ?
C14 C15 C16 C17 0.9(5) . . . . ?
C15 C16 C17 C18 -2.8(5) . . . . ?
C16 C17 C18 C19 1.6(5) . . . . ?
C17 C18 C19 C14 1.4(4) . . . . ?
C17 C18 C19 C20 179.9(3) . . . . ?
C13 C14 C19 C18 176.4(3) . . . . ?
C15 C14 C19 C18 -3.2(4) . . . . ?
C13 C14 C19 C20 -2.2(4) . . . . ?
C15 C14 C19 C20 178.2(3) . . . . ?
C12 C11 C20 C19 -4.1(4) . . . . ?
P1 C11 C20 C19 168.6(2) . . . . ?
C12 C11 C20 C36 174.3(3) . . . . ?
P1 C11 C20 C36 -13.1(4) . . . . ?
C18 C19 C20 C11 -173.1(3) . . . . ?
C14 C19 C20 C11 5.4(4) . . . . ?
C18 C19 C20 C36 8.6(4) . . . . ?
C14 C19 C20 C36 -172.9(3) . . . . ?
C26 C21 C22 C23 1.1(5) . . . . ?
P1 C21 C22 C23 176.3(2) . . . . ?
C21 C22 C23 C24 -1.2(5) . . . . ?
C22 C23 C24 C25 0.7(5) . . . . ?
C23 C24 C25 C26 -0.1(5) . . . . ?
C24 C25 C26 C21 0.0(4) . . . . ?
C24 C25 C26 C27 172.8(3) . . . . ?
C22 C21 C26 C25 -0.5(4) . . . . ?
P1 C21 C26 C25 -175.4(2) . . . . ?
C22 C21 C26 C27 -173.2(3) . . . . ?
P1 C21 C26 C27 11.9(4) . . . . ?
C25 C26 C27 C36 135.2(3) . . . . ?
C21 C26 C27 C36 -52.2(4) . . . . ?
C25 C26 C27 C28 -50.5(4) . . . . ?
C21 C26 C27 C28 122.0(3) . . . . ?
C36 C27 C28 C29 5.4(5) . . . . ?
C26 C27 C28 C29 -169.2(3) . . . . ?
C27 C28 C29 C30 -1.9(5) . . . . ?
C28 C29 C30 C31 178.3(3) . . . . ?
C28 C29 C30 C35 -2.6(5) . . . . ?
C29 C30 C31 C32 178.0(3) . . . . ?
C35 C30 C31 C32 -1.1(5) . . . . ?
C30 C31 C32 C33 0.3(5) . . . . ?
C31 C32 C33 C34 1.8(5) . . . . ?
C32 C33 C34 C35 -3.1(5) . . . . ?
C33 C34 C35 C30 2.2(4) . . . . ?
C33 C34 C35 C36 179.2(3) . . . . ?
C29 C30 C35 C34 -179.2(3) . . . . ?
C31 C30 C35 C34 -0.1(4) . . . . ?
C29 C30 C35 C36 3.6(4) . . . . ?
C31 C30 C35 C36 -177.3(3) . . . . ?
C28 C27 C36 C35 -4.3(4) . . . . ?
C26 C27 C36 C35 169.8(3) . . . . ?
C28 C27 C36 C20 179.0(3) . . . . ?
C26 C27 C36 C20 -7.0(4) . . . . ?
C34 C35 C36 C27 -177.1(3) . . . . ?
C30 C35 C36 C27 -0.1(4) . . . . ?
C34 C35 C36 C20 -0.3(4) . . . . ?
C30 C35 C36 C20 176.7(3) . . . . ?
C11 C20 C36 C27 61.9(4) . . . . ?
C19 C20 C36 C27 -119.8(3) . . . . ?
C11 C20 C36 C35 -114.9(3) . . . . ?
C19 C20 C36 C35 63.4(4) . . . . ?
C6 C1 P1 O1 98.8(3) . . . . ?
C2 C1 P1 O1 -81.8(3) . . . . ?
C6 C1 P1 C21 -29.0(3) . . . . ?
C2 C1 P1 C21 150.4(2) . . . . ?
C6 C1 P1 C11 -136.1(3) . . . . ?
C2 C1 P1 C11 43.3(3) . . . . ?
C22 C21 P1 O1 0.7(3) . . . . ?
C26 C21 P1 O1 175.7(2) . . . . ?
C22 C21 P1 C1 129.0(2) . . . . ?
C26 C21 P1 C1 -55.9(3) . . . . ?
C22 C21 P1 C11 -120.0(2) . . . . ?
C26 C21 P1 C11 55.0(3) . . . . ?
C20 C11 P1 O1 -176.6(2) . . . . ?
C12 C11 P1 O1 -3.6(3) . . . . ?
C20 C11 P1 C1 57.9(3) . . . . ?
C12 C11 P1 C1 -129.1(2) . . . . ?
C20 C11 P1 C21 -56.1(3) . . . . ?
C12 C11 P1 C21 116.8(2) . . . . ?
