#------------------------------------------------------------------------------
#$Date: 2021-09-06 12:32:22 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268580 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/85/7128555.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_7128555
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_compound_source        'synthesis as described'
_chemical_formula_moiety         'C32 H19 O P'
_chemical_formula_sum            'C32 H19 O P'
_chemical_formula_weight         450.44
_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
_audit_update_record
;
2019-06-06 deposited with the CCDC.	2021-06-21 downloaded from the CCDC.
;
_cell_angle_alpha                98.101(3)
_cell_angle_beta                 97.742(2)
_cell_angle_gamma                103.706(3)
_cell_formula_units_Z            2
_cell_length_a                   8.6807(7)
_cell_length_b                   9.5045(7)
_cell_length_c                   13.7955(10)
_cell_measurement_reflns_used    9971
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.45
_cell_measurement_wavelength     0.71073
_cell_volume                     1077.91(14)
_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, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0352
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25530
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.478
_diffrn_reflns_theta_min         3.030
_exptl_absorpt_coefficient_mu    0.153
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.858
_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    1.388
_exptl_crystal_description       prism
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4942
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0365
_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)+(0.0416P)²+0.7805P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.0971
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4447
_reflns_number_total             4942
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1cc02293h2.cif
_cod_data_source_block           MD243
_cod_depositor_comments
'Adding full bibliography for 7128555--7128561.cif.'
_cod_database_code               7128555
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 0.37682(4) 0.78798(4) 0.18667(2) 0.01388(9) Uani 1 1 d . . . . .
O1 O 0.49813(12) 0.88717(12) 0.14249(8) 0.0219(2) Uani 1 1 d . . . . .
C1 C 0.34682(16) 0.59799(15) 0.13151(9) 0.0150(3) Uani 1 1 d . . . . .
C2 C 0.47928(17) 0.53849(16) 0.14605(10) 0.0195(3) Uani 1 1 d . . . . .
H2 H 0.576287 0.595442 0.188102 0.023 Uiso 1 1 calc R U . . .
C3 C 0.46946(18) 0.39659(17) 0.09927(11) 0.0222(3) Uani 1 1 d . . . . .
H3 H 0.559669 0.356659 0.109181 0.027 Uiso 1 1 calc R U . . .
C4 C 0.32745(18) 0.31304(16) 0.03791(11) 0.0214(3) Uani 1 1 d . . . . .
H4 H 0.320891 0.216159 0.005596 0.026 Uiso 1 1 calc R U . . .
C5 C 0.19543(18) 0.37075(17) 0.02378(11) 0.0226(3) Uani 1 1 d . . . . .
H5 H 0.098046 0.312751 -0.017376 0.027 Uiso 1 1 calc R U . . .
C6 C 0.20507(17) 0.51353(17) 0.06974(10) 0.0209(3) Uani 1 1 d . . . . .
H6 H 0.114938 0.553358 0.058961 0.025 Uiso 1 1 calc R U . . .
C7 C 0.18965(16) 0.83695(14) 0.17885(9) 0.0146(3) Uani 1 1 d . . . . .
C8 C 0.17176(17) 0.95727(15) 0.13476(10) 0.0187(3) Uani 1 1 d . . . . .
H8 H 0.253827 1.004665 0.102247 0.022 Uiso 1 1 calc R U . . .
C9 C 0.03432(18) 1.00796(16) 0.13825(11) 0.0213(3) Uani 1 1 d . . . . .
H9 H 0.021427 1.088842 0.107565 0.026 Uiso 1 1 calc R U . . .
C10 C -0.08369(17) 0.93876(16) 0.18718(11) 0.0206(3) Uani 1 1 d . . . . .
H10 H -0.177136 0.973502 0.190753 0.025 Uiso 1 1 calc R U . . .
C11 C -0.06617(16) 0.81914(15) 0.23095(10) 0.0171(3) Uani 1 1 d . . . . .
H11 H -0.148395 0.772831 0.263763 0.021 Uiso 1 1 calc R U . . .
C12 C 0.07078(15) 0.76541(14) 0.22759(9) 0.0143(3) Uani 1 1 d . . . . .
C13 C 0.07442(15) 0.63008(14) 0.26991(9) 0.0136(2) Uani 1 1 d . . . . .
C14 C -0.06621(16) 0.51148(15) 0.23278(10) 0.0168(3) Uani 1 1 d . . . . .
H14 H -0.142696 0.521231 0.179721 0.020 Uiso 1 1 calc R U . . .
C15 C -0.09445(16) 0.38510(15) 0.27070(10) 0.0181(3) Uani 1 1 d . . . . .
H15 H -0.181859 0.303582 0.239210 0.022 Uiso 1 1 calc R U . . .
C16 C 0.00762(15) 0.37599(14) 0.35761(10) 0.0155(3) Uani 1 1 d . . . . .
C17 C -0.03391(16) 0.25652(15) 0.40804(11) 0.0185(3) Uani 1 1 d . . . . .
H17 H -0.125367 0.176831 0.380178 0.022 Uiso 1 1 calc R U . . .
C18 C 0.05705(17) 0.25525(15) 0.49674(11) 0.0191(3) Uani 1 1 d . . . . .
H18 H 0.028538 0.174881 0.530447 0.023 Uiso 1 1 calc R U . . .
C19 C 0.19258(16) 0.37264(15) 0.53807(10) 0.0170(3) Uani 1 1 d . . . . .
H19 H 0.253732 0.370832 0.600190 0.020 Uiso 1 1 calc R U . . .
C20 C 0.23963(15) 0.49110(14) 0.49073(9) 0.0134(2) Uani 1 1 d . . . . .
C21 C 0.37668(15) 0.61692(14) 0.53635(10) 0.0138(2) Uani 1 1 d . . . . .
C22 C 0.45569(17) 0.63190(16) 0.63302(10) 0.0191(3) Uani 1 1 d . . . . .
H22 H 0.415465 0.562263 0.672635 0.023 Uiso 1 1 calc R U . . .
C23 C 0.59377(17) 0.74734(16) 0.67407(10) 0.0209(3) Uani 1 1 d . . . . .
H23 H 0.643594 0.756167 0.741109 0.025 Uiso 1 1 calc R U . . .
C24 C 0.65625(16) 0.84649(15) 0.61804(10) 0.0177(3) Uani 1 1 d . . . . .
H24 H 0.750696 0.923109 0.645680 0.021 Uiso 1 1 calc R U . . .
C25 C 0.58058(15) 0.83557(14) 0.51853(10) 0.0142(3) Uani 1 1 d . . . . .
C26 C 0.65069(15) 0.93115(14) 0.45754(10) 0.0163(3) Uani 1 1 d . . . . .
H26 H 0.743597 1.009599 0.484892 0.020 Uiso 1 1 calc R U . . .
C27 C 0.58509(15) 0.91092(14) 0.35928(10) 0.0157(3) Uani 1 1 d . . . . .
H27 H 0.638635 0.969879 0.317479 0.019 Uiso 1 1 calc R U . . .
C28 C 0.43807(15) 0.80314(14) 0.31854(9) 0.0132(2) Uani 1 1 d . . . . .
C29 C 0.35454(15) 0.71644(14) 0.37870(9) 0.0118(2) Uani 1 1 d . . . . .
C30 C 0.43539(15) 0.72365(14) 0.47801(9) 0.0124(2) Uani 1 1 d . . . . .
C31 C 0.19231(15) 0.61408(14) 0.34513(9) 0.0122(2) Uani 1 1 d . . . . .
C32 C 0.14881(15) 0.49284(14) 0.39664(9) 0.0129(2) 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
O1 P1 C7 112.53(6) . . ?
O1 P1 C28 112.08(6) . . ?
C7 P1 C28 102.70(6) . . ?
O1 P1 C1 111.16(6) . . ?
C7 P1 C1 110.93(6) . . ?
C28 P1 C1 107.03(6) . . ?
C6 C1 C2 119.42(13) . . ?
C6 C1 P1 123.45(11) . . ?
C2 C1 P1 116.91(10) . . ?
C3 C2 C1 120.28(13) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 119.91(13) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 120.15(13) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.20(13) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 120.05(13) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C8 C7 C12 120.99(13) . . ?
C8 C7 P1 119.46(10) . . ?
C12 C7 P1 119.09(10) . . ?
C9 C8 C7 120.36(13) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 119.17(13) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C9 C10 C11 120.53(13) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C12 121.25(13) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C7 C12 C11 117.68(12) . . ?
C7 C12 C13 124.45(12) . . ?
C11 C12 C13 117.72(12) . . ?
C31 C13 C14 119.35(12) . . ?
C31 C13 C12 127.01(11) . . ?
C14 C13 C12 113.44(11) . . ?
C15 C14 C13 122.31(12) . . ?
C15 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
C14 C15 C16 119.45(12) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C17 C16 C15 120.58(12) . . ?
C17 C16 C32 120.22(12) . . ?
C15 C16 C32 119.13(12) . . ?
C18 C17 C16 120.26(12) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 120.06(13) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 121.84(13) . . ?
C20 C19 H19 119.1 . . ?
C18 C19 H19 119.1 . . ?
C19 C20 C32 119.05(12) . . ?
C19 C20 C21 121.69(12) . . ?
C32 C20 C21 119.22(12) . . ?
C22 C21 C30 118.83(12) . . ?
C22 C21 C20 122.11(12) . . ?
C30 C21 C20 119.00(11) . . ?
C21 C22 C23 121.85(13) . . ?
C21 C22 H22 119.1 . . ?
C23 C22 H22 119.1 . . ?
C24 C23 C22 120.24(13) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 120.14(12) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 120.57(12) . . ?
C26 C25 C30 119.39(12) . . ?
C24 C25 C30 119.99(12) . . ?
C27 C26 C25 120.08(12) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 121.09(12) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C29 C28 C27 120.81(12) . . ?
C29 C28 P1 124.97(10) . . ?
C27 C28 P1 114.21(10) . . ?
C28 C29 C30 117.38(11) . . ?
C28 C29 C31 124.26(11) . . ?
C30 C29 C31 118.30(11) . . ?
C21 C30 C25 118.75(12) . . ?
C21 C30 C29 121.10(11) . . ?
C25 C30 C29 120.10(12) . . ?
C13 C31 C32 117.35(11) . . ?
C13 C31 C29 125.03(12) . . ?
C32 C31 C29 117.55(11) . . ?
C16 C32 C20 118.44(12) . . ?
C16 C32 C31 120.42(12) . . ?
C20 C32 C31 121.02(11) . . ?
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 1.4945(10) . ?
P1 C7 1.7871(14) . ?
P1 C28 1.8007(13) . ?
P1 C1 1.8012(14) . ?
C1 C6 1.3933(19) . ?
C1 C2 1.4000(19) . ?
C2 C3 1.389(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(2) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.3987(19) . ?
C7 C12 1.4009(18) . ?
C8 C9 1.393(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.389(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.390(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.4043(19) . ?
C11 H11 0.9500 . ?
C12 C13 1.4907(18) . ?
C13 C31 1.4069(18) . ?
C13 C14 1.4283(17) . ?
C14 C15 1.360(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.4175(19) . ?
C15 H15 0.9500 . ?
C16 C17 1.4140(19) . ?
C16 C32 1.4263(17) . ?
C17 C18 1.367(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.4043(19) . ?
C18 H18 0.9500 . ?
C19 C20 1.3864(19) . ?
C19 H19 0.9500 . ?
C20 C32 1.4295(18) . ?
C20 C21 1.4675(18) . ?
C21 C22 1.3867(18) . ?
C21 C30 1.4254(18) . ?
C22 C23 1.407(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.362(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.4182(18) . ?
C24 H24 0.9500 . ?
C25 C26 1.4125(19) . ?
C25 C30 1.4282(17) . ?
C26 C27 1.3658(19) . ?
C26 H26 0.9500 . ?
C27 C28 1.4208(17) . ?
C27 H27 0.9500 . ?
C28 C29 1.4020(18) . ?
C29 C30 1.4373(17) . ?
C29 C31 1.4806(17) . ?
C31 C32 1.4395(18) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C27 H27 O1 0.95 2.48 2.9472(17) 110.3 . yes
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 C6 -110.96(12) . . . . ?
C7 P1 C1 C6 15.04(14) . . . . ?
C28 P1 C1 C6 126.35(12) . . . . ?
O1 P1 C1 C2 63.65(12) . . . . ?
C7 P1 C1 C2 -170.34(10) . . . . ?
C28 P1 C1 C2 -59.03(12) . . . . ?
C6 C1 C2 C3 0.0(2) . . . . ?
P1 C1 C2 C3 -174.80(11) . . . . ?
C1 C2 C3 C4 -0.2(2) . . . . ?
C2 C3 C4 C5 -0.4(2) . . . . ?
C3 C4 C5 C6 1.0(2) . . . . ?
C4 C5 C6 C1 -1.1(2) . . . . ?
C2 C1 C6 C5 0.6(2) . . . . ?
P1 C1 C6 C5 175.07(11) . . . . ?
O1 P1 C7 C8 -0.08(13) . . . . ?
C28 P1 C7 C8 120.63(11) . . . . ?
C1 P1 C7 C8 -125.31(11) . . . . ?
O1 P1 C7 C12 -172.41(10) . . . . ?
C28 P1 C7 C12 -51.71(11) . . . . ?
C1 P1 C7 C12 62.35(12) . . . . ?
C12 C7 C8 C9 -0.3(2) . . . . ?
P1 C7 C8 C9 -172.43(10) . . . . ?
C7 C8 C9 C10 0.8(2) . . . . ?
C8 C9 C10 C11 -0.9(2) . . . . ?
C9 C10 C11 C12 0.4(2) . . . . ?
C8 C7 C12 C11 -0.28(19) . . . . ?
P1 C7 C12 C11 171.93(10) . . . . ?
C8 C7 C12 C13 175.27(12) . . . . ?
P1 C7 C12 C13 -12.52(17) . . . . ?
C10 C11 C12 C7 0.23(19) . . . . ?
C10 C11 C12 C13 -175.63(12) . . . . ?
C7 C12 C13 C31 60.82(19) . . . . ?
C11 C12 C13 C31 -123.63(14) . . . . ?
C7 C12 C13 C14 -124.45(13) . . . . ?
C11 C12 C13 C14 51.10(16) . . . . ?
C31 C13 C14 C15 3.1(2) . . . . ?
C12 C13 C14 C15 -172.09(13) . . . . ?
C13 C14 C15 C16 7.9(2) . . . . ?
C14 C15 C16 C17 169.37(13) . . . . ?
C14 C15 C16 C32 -7.4(2) . . . . ?
C15 C16 C17 C18 -173.88(13) . . . . ?
C32 C16 C17 C18 2.8(2) . . . . ?
C16 C17 C18 C19 -0.2(2) . . . . ?
C17 C18 C19 C20 -0.9(2) . . . . ?
C18 C19 C20 C32 -0.8(2) . . . . ?
C18 C19 C20 C21 177.02(12) . . . . ?
C19 C20 C21 C22 -7.0(2) . . . . ?
C32 C20 C21 C22 170.85(12) . . . . ?
C19 C20 C21 C30 170.01(12) . . . . ?
C32 C20 C21 C30 -12.16(18) . . . . ?
C30 C21 C22 C23 -1.4(2) . . . . ?
C20 C21 C22 C23 175.57(13) . . . . ?
C21 C22 C23 C24 -1.7(2) . . . . ?
C22 C23 C24 C25 1.2(2) . . . . ?
C23 C24 C25 C26 -175.40(13) . . . . ?
C23 C24 C25 C30 2.2(2) . . . . ?
C24 C25 C26 C27 173.86(13) . . . . ?
C30 C25 C26 C27 -3.78(19) . . . . ?
C25 C26 C27 C28 5.8(2) . . . . ?
C26 C27 C28 C29 1.3(2) . . . . ?
C26 C27 C28 P1 -177.27(10) . . . . ?
O1 P1 C28 C29 -175.29(11) . . . . ?
C7 P1 C28 C29 63.69(12) . . . . ?
C1 P1 C28 C29 -53.18(13) . . . . ?
O1 P1 C28 C27 3.19(12) . . . . ?
C7 P1 C28 C27 -117.83(10) . . . . ?
C1 P1 C28 C27 125.30(10) . . . . ?
C27 C28 C29 C30 -9.94(18) . . . . ?
P1 C28 C29 C30 168.44(9) . . . . ?
C27 C28 C29 C31 172.74(12) . . . . ?
P1 C28 C29 C31 -8.88(18) . . . . ?
C22 C21 C30 C25 4.78(18) . . . . ?
C20 C21 C30 C25 -172.31(11) . . . . ?
C22 C21 C30 C29 -177.66(12) . . . . ?
C20 C21 C30 C29 5.25(18) . . . . ?
C26 C25 C30 C21 172.43(12) . . . . ?
C24 C25 C30 C21 -5.23(18) . . . . ?
C26 C25 C30 C29 -5.15(18) . . . . ?
C24 C25 C30 C29 177.19(11) . . . . ?
C28 C29 C30 C21 -165.72(12) . . . . ?
C31 C29 C30 C21 11.76(17) . . . . ?
C28 C29 C30 C25 11.80(18) . . . . ?
C31 C29 C30 C25 -170.71(11) . . . . ?
C14 C13 C31 C32 -13.88(18) . . . . ?
C12 C13 C31 C32 160.58(12) . . . . ?
C14 C13 C31 C29 169.35(12) . . . . ?
C12 C13 C31 C29 -16.2(2) . . . . ?
C28 C29 C31 C13 -27.80(19) . . . . ?
C30 C29 C31 C13 154.90(12) . . . . ?
C28 C29 C31 C32 155.43(12) . . . . ?
C30 C29 C31 C32 -21.87(17) . . . . ?
C17 C16 C32 C20 -4.42(19) . . . . ?
C15 C16 C32 C20 172.35(12) . . . . ?
C17 C16 C32 C31 179.48(12) . . . . ?
C15 C16 C32 C31 -3.75(19) . . . . ?
C19 C20 C32 C16 3.40(18) . . . . ?
C21 C20 C32 C16 -174.49(11) . . . . ?
C19 C20 C32 C31 179.47(12) . . . . ?
C21 C20 C32 C31 1.59(18) . . . . ?
C13 C31 C32 C16 14.26(18) . . . . ?
C29 C31 C32 C16 -168.72(11) . . . . ?
C13 C31 C32 C20 -161.73(12) . . . . ?
C29 C31 C32 C20 15.29(17) . . . . ?
