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#$Date: 2022-10-14 03:48:09 +0300 (Fri, 14 Oct 2022) $
#$Revision: 278577 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/56/7245674.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_7245674
loop_
_publ_author_name
'Shaydullin, Ruslan R.'
'Galushko, Alexey S.'
'Pentsak, Evgeniy O.'
'Korshunov, Vladislav M.'
'Taydakov, Ilya V.'
'Gordeev, Evgeniy G.'
'Minyaev, Mikhail E.'
'Nasyrova, Darina I.'
'Ananikov, Valentine P.'
_publ_section_title
;
 Yellow to blue switching of fluorescence by the tuning of the
 pentaphenylphosphole structure: phosphorus electronic state vs. ring
 conjugation
;
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_paper_doi               10.1039/D2CP03723H
_journal_year                    2022
_chemical_formula_moiety         'C34 H25 O P'
_chemical_formula_sum            'C34 H25 O P'
_chemical_formula_weight         480.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-07-12 deposited with the CCDC.	2022-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.7170(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.0559(6)
_cell_length_b                   6.2918(2)
_cell_length_c                   24.2227(10)
_cell_measurement_reflns_used    9953
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      34.32
_cell_measurement_theta_min      2.54
_cell_volume                     2444.24(16)
_computing_cell_refinement       'SAINT (Bruker, 2019)'
_computing_data_collection       'APEX3 (Bruker, 2019)'
_computing_data_reduction        'SAINT (Bruker, 2019)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, Acta Cryst., 2008, A64, 112-122)'
_computing_publication_material
'SHELXTL (Sheldrick, Acta Cryst., 2008, A64, 112-122)'
_computing_structure_refinement
'SHELXL-2018 (Sheldrick, Acta Cryst., 2015, C71, 3-8)'
_computing_structure_solution
'SHELXT, SHELXS-2013 (Sheldrick, Acta Cryst., 2015, A71, 3-8)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker AXS D8 QUEST, Photon III detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            49922
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.033
_diffrn_reflns_theta_min         2.060
_diffrn_source                   'sealed X-Ray tube'
_diffrn_source_current           30
_diffrn_source_power             50
_diffrn_source_size              '0.6 mm, fine-focus'
_exptl_absorpt_coefficient_mu    0.139
_exptl_absorpt_correction_T_max  0.7468
_exptl_absorpt_correction_T_min  0.7029
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS 2016/2 (Krause et al., J. Appl. Cryst. 2015, 48, 3-10)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.401
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         7133
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0543
_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)+(0.0317P)²+4.3241P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1378
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5580
_reflns_number_total             7133
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cp03723h2.cif
_cod_data_source_block           PPPO
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7245674
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.31369(3) 0.13057(8) 0.33548(2) 0.01300(11) Uani 1 1 d . . . . .
O1 O 0.30405(9) -0.0906(2) 0.31437(6) 0.0193(3) Uani 1 1 d . . . . .
C1 C 0.28728(11) 0.1716(3) 0.40666(8) 0.0140(3) Uani 1 1 d . . . . .
C2 C 0.22331(11) 0.3116(3) 0.40758(8) 0.0143(3) Uani 1 1 d . . . . .
C3 C 0.19605(11) 0.3995(3) 0.35173(8) 0.0132(3) Uani 1 1 d . . . . .
C4 C 0.23945(11) 0.3250(3) 0.30903(8) 0.0135(3) Uani 1 1 d . . . . .
C5 C 0.41744(11) 0.2286(3) 0.32767(8) 0.0146(3) Uani 1 1 d . . . . .
C6 C 0.43994(13) 0.4390(3) 0.33831(9) 0.0214(4) Uani 1 1 d . . . . .
H6 H 0.399091 0.539979 0.347951 0.026 Uiso 1 1 calc R U . . .
C7 C 0.52264(14) 0.4998(4) 0.33470(10) 0.0267(5) Uani 1 1 d . . . . .
H7 H 0.538584 0.642592 0.342352 0.032 Uiso 1 1 calc R U . . .
C8 C 0.58206(13) 0.3530(4) 0.31997(10) 0.0257(5) Uani 1 1 d . . . . .
H8 H 0.638635 0.395530 0.318136 0.031 Uiso 1 1 calc R U . . .
C9 C 0.55979(13) 0.1457(4) 0.30795(9) 0.0234(4) Uani 1 1 d . . . . .
H9 H 0.600626 0.046885 0.297047 0.028 Uiso 1 1 calc R U . . .
C10 C 0.47735(12) 0.0820(3) 0.31185(8) 0.0186(4) Uani 1 1 d . . . . .
H10 H 0.461741 -0.060741 0.303807 0.022 Uiso 1 1 calc R U . . .
C11 C 0.33158(12) 0.0580(3) 0.45230(8) 0.0163(4) Uani 1 1 d . . . . .
C12 C 0.36636(13) -0.1426(4) 0.44232(9) 0.0228(4) Uani 1 1 d . . . . .
H12 H 0.359106 -0.204855 0.406689 0.027 Uiso 1 1 calc R U . . .
C13 C 0.41123(15) -0.2511(4) 0.48395(10) 0.0300(5) Uani 1 1 d . . . . .
H13 H 0.434143 -0.386782 0.476606 0.036 Uiso 1 1 calc R U . . .
C14 C 0.42266(15) -0.1625(4) 0.53590(10) 0.0309(5) Uani 1 1 d . . . . .
H14 H 0.453240 -0.236979 0.564322 0.037 Uiso 1 1 calc R U . . .
C15 C 0.38916(15) 0.0360(4) 0.54631(9) 0.0301(5) Uani 1 1 d . . . . .
H15 H 0.397242 0.097655 0.581963 0.036 Uiso 1 1 calc R U . . .
C16 C 0.34395(13) 0.1455(4) 0.50510(9) 0.0235(4) Uani 1 1 d . . . . .
H16 H 0.321222 0.281081 0.512870 0.028 Uiso 1 1 calc R U . . .
C17 C 0.17514(11) 0.3596(3) 0.45729(8) 0.0149(3) Uani 1 1 d . . . . .
C18 C 0.17828(13) 0.5573(3) 0.48339(8) 0.0197(4) Uani 1 1 d . . . . .
H18 H 0.212558 0.666623 0.469763 0.024 Uiso 1 1 calc R U . . .
C19 C 0.13135(14) 0.5952(4) 0.52939(9) 0.0230(4) Uani 1 1 d . . . . .
H19 H 0.134013 0.730060 0.547019 0.028 Uiso 1 1 calc R U . . .
C20 C 0.08083(14) 0.4371(4) 0.54951(9) 0.0233(4) Uani 1 1 d . . . . .
H20 H 0.047990 0.464411 0.580340 0.028 Uiso 1 1 calc R U . . .
C21 C 0.07848(13) 0.2393(4) 0.52446(9) 0.0224(4) Uani 1 1 d . . . . .
H21 H 0.044682 0.129889 0.538531 0.027 Uiso 1 1 calc R U . . .
C22 C 0.12552(12) 0.2003(3) 0.47868(8) 0.0181(4) Uani 1 1 d . . . . .
H22 H 0.123813 0.063856 0.461860 0.022 Uiso 1 1 calc R U . . .
C23 C 0.12202(11) 0.5404(3) 0.34388(7) 0.0138(3) Uani 1 1 d . . . . .
C24 C 0.12207(13) 0.7501(3) 0.36298(8) 0.0174(4) Uani 1 1 d . . . . .
H24 H 0.169540 0.805217 0.383052 0.021 Uiso 1 1 calc R U . . .
C25 C 0.05244(13) 0.8774(3) 0.35250(8) 0.0201(4) Uani 1 1 d . . . . .
H25 H 0.052517 1.019689 0.365626 0.024 Uiso 1 1 calc R U . . .
C26 C -0.01716(13) 0.7993(4) 0.32311(8) 0.0211(4) Uani 1 1 d . . . . .
H26 H -0.064419 0.887819 0.316094 0.025 Uiso 1 1 calc R U . . .
C27 C -0.01756(12) 0.5921(4) 0.30402(8) 0.0196(4) Uani 1 1 d . . . . .
H27 H -0.065209 0.538028 0.283925 0.024 Uiso 1 1 calc R U . . .
C28 C 0.05172(12) 0.4628(3) 0.31422(8) 0.0163(4) Uani 1 1 d . . . . .
H28 H 0.051243 0.320700 0.300927 0.020 Uiso 1 1 calc R U . . .
C29 C 0.23117(11) 0.3796(3) 0.24976(7) 0.0141(3) Uani 1 1 d . . . . .
C30 C 0.21303(11) 0.5867(3) 0.23133(8) 0.0156(4) Uani 1 1 d . . . . .
H30 H 0.204007 0.696325 0.257352 0.019 Uiso 1 1 calc R U . . .
C31 C 0.20823(12) 0.6318(3) 0.17518(8) 0.0179(4) Uani 1 1 d . . . . .
H31 H 0.194991 0.771933 0.163048 0.021 Uiso 1 1 calc R U . . .
C32 C 0.22256(13) 0.4745(4) 0.13648(8) 0.0196(4) Uani 1 1 d . . . . .
H32 H 0.219784 0.507059 0.098146 0.024 Uiso 1 1 calc R U . . .
C33 C 0.24097(13) 0.2694(4) 0.15429(8) 0.0208(4) Uani 1 1 d . . . . .
H33 H 0.250614 0.161090 0.128025 0.025 Uiso 1 1 calc R U . . .
C34 C 0.24536(12) 0.2218(3) 0.21054(8) 0.0176(4) Uani 1 1 d . . . . .
H34 H 0.258079 0.081028 0.222383 0.021 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
O1 P1 C5 111.53(9) . . ?
O1 P1 C4 117.12(9) . . ?
C5 P1 C4 109.29(9) . . ?
O1 P1 C1 115.77(9) . . ?
C5 P1 C1 108.14(9) . . ?
C4 P1 C1 93.48(9) . . ?
C2 C1 C11 130.08(17) . . ?
C2 C1 P1 108.67(14) . . ?
C11 C1 P1 121.24(14) . . ?
C1 C2 C17 124.58(17) . . ?
C1 C2 C3 114.34(16) . . ?
C17 C2 C3 120.68(16) . . ?
C4 C3 C23 122.96(17) . . ?
C4 C3 C2 114.80(16) . . ?
C23 C3 C2 121.98(16) . . ?
C3 C4 C29 129.40(17) . . ?
C3 C4 P1 108.53(14) . . ?
C29 C4 P1 122.05(14) . . ?
C6 C5 C10 120.10(18) . . ?
C6 C5 P1 122.74(15) . . ?
C10 C5 P1 117.12(15) . . ?
C7 C6 C5 119.4(2) . . ?
C7 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C8 C7 C6 120.3(2) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C9 C8 C7 120.6(2) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 119.7(2) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C9 C10 C5 119.8(2) . . ?
C9 C10 H10 120.1 . . ?
C5 C10 H10 120.1 . . ?
C16 C11 C12 118.07(19) . . ?
C16 C11 C1 122.59(19) . . ?
C12 C11 C1 119.28(18) . . ?
C13 C12 C11 120.8(2) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 119.5(2) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C14 C15 C16 120.6(2) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C11 120.6(2) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
C18 C17 C22 118.77(18) . . ?
C18 C17 C2 122.49(18) . . ?
C22 C17 C2 118.74(18) . . ?
C17 C18 C19 120.3(2) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 120.3(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 119.67(19) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C20 C21 C22 120.2(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C17 120.6(2) . . ?
C21 C22 H22 119.7 . . ?
C17 C22 H22 119.7 . . ?
C28 C23 C24 119.21(18) . . ?
C28 C23 C3 118.58(17) . . ?
C24 C23 C3 122.15(18) . . ?
C25 C24 C23 119.73(19) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C26 C25 C24 120.78(19) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C27 C26 C25 119.78(19) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 120.06(19) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C23 120.44(19) . . ?
C27 C28 H28 119.8 . . ?
C23 C28 H28 119.8 . . ?
C34 C29 C30 118.73(17) . . ?
C34 C29 C4 118.99(17) . . ?
C30 C29 C4 122.22(17) . . ?
C31 C30 C29 120.18(18) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 120.78(19) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C33 C32 C31 119.49(18) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C32 C33 C34 120.26(19) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C29 120.55(19) . . ?
C33 C34 H34 119.7 . . ?
C29 C34 H34 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 O1 1.4882(15) . ?
P1 C5 1.7947(19) . ?
P1 C4 1.8043(19) . ?
P1 C1 1.8134(19) . ?
C1 C2 1.354(3) . ?
C1 C11 1.471(3) . ?
C2 C17 1.493(3) . ?
C2 C3 1.507(3) . ?
C3 C4 1.358(3) . ?
C3 C23 1.488(3) . ?
C4 C29 1.476(3) . ?
C5 C6 1.393(3) . ?
C5 C10 1.399(3) . ?
C6 C7 1.389(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.387(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.380(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.398(3) . ?
C11 C12 1.406(3) . ?
C12 C13 1.390(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.395(3) . ?
C17 C22 1.396(3) . ?
C18 C19 1.395(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.386(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.393(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.397(3) . ?
C23 C24 1.398(3) . ?
C24 C25 1.389(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.391(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C34 1.400(3) . ?
C29 C30 1.404(3) . ?
C30 C31 1.388(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.390(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.388(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.394(3) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
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 -118.58(14) . . . . ?
C5 P1 C1 C2 115.47(15) . . . . ?
C4 P1 C1 C2 3.87(15) . . . . ?
O1 P1 C1 C11 60.16(18) . . . . ?
C5 P1 C1 C11 -65.79(17) . . . . ?
C4 P1 C1 C11 -177.39(16) . . . . ?
C11 C1 C2 C17 -8.8(3) . . . . ?
P1 C1 C2 C17 169.78(15) . . . . ?
C11 C1 C2 C3 178.44(19) . . . . ?
P1 C1 C2 C3 -3.0(2) . . . . ?
C1 C2 C3 C4 0.1(2) . . . . ?
C17 C2 C3 C4 -172.93(17) . . . . ?
C1 C2 C3 C23 174.51(17) . . . . ?
C17 C2 C3 C23 1.5(3) . . . . ?
C23 C3 C4 C29 7.3(3) . . . . ?
C2 C3 C4 C29 -178.37(18) . . . . ?
C23 C3 C4 P1 -171.53(15) . . . . ?
C2 C3 C4 P1 2.8(2) . . . . ?
O1 P1 C4 C3 117.59(14) . . . . ?
C5 P1 C4 C3 -114.38(14) . . . . ?
C1 P1 C4 C3 -3.78(15) . . . . ?
O1 P1 C4 C29 -61.35(18) . . . . ?
C5 P1 C4 C29 66.69(17) . . . . ?
C1 P1 C4 C29 177.28(16) . . . . ?
O1 P1 C5 C6 172.42(16) . . . . ?
C4 P1 C5 C6 41.33(19) . . . . ?
C1 P1 C5 C6 -59.18(19) . . . . ?
O1 P1 C5 C10 -9.64(18) . . . . ?
C4 P1 C5 C10 -140.73(15) . . . . ?
C1 P1 C5 C10 118.76(16) . . . . ?
C10 C5 C6 C7 -1.9(3) . . . . ?
P1 C5 C6 C7 175.94(17) . . . . ?
C5 C6 C7 C8 0.8(3) . . . . ?
C6 C7 C8 C9 0.9(4) . . . . ?
C7 C8 C9 C10 -1.5(3) . . . . ?
C8 C9 C10 C5 0.3(3) . . . . ?
C6 C5 C10 C9 1.4(3) . . . . ?
P1 C5 C10 C9 -176.61(16) . . . . ?
C2 C1 C11 C16 -32.6(3) . . . . ?
P1 C1 C11 C16 148.95(17) . . . . ?
C2 C1 C11 C12 150.3(2) . . . . ?
P1 C1 C11 C12 -28.1(3) . . . . ?
C16 C11 C12 C13 0.4(3) . . . . ?
C1 C11 C12 C13 177.6(2) . . . . ?
C11 C12 C13 C14 -0.3(4) . . . . ?
C12 C13 C14 C15 -0.1(4) . . . . ?
C13 C14 C15 C16 0.4(4) . . . . ?
C14 C15 C16 C11 -0.2(4) . . . . ?
C12 C11 C16 C15 -0.2(3) . . . . ?
C1 C11 C16 C15 -177.3(2) . . . . ?
C1 C2 C17 C18 113.0(2) . . . . ?
C3 C2 C17 C18 -74.7(2) . . . . ?
C1 C2 C17 C22 -66.5(3) . . . . ?
C3 C2 C17 C22 105.8(2) . . . . ?
C22 C17 C18 C19 -1.2(3) . . . . ?
C2 C17 C18 C19 179.28(19) . . . . ?
C17 C18 C19 C20 -0.3(3) . . . . ?
C18 C19 C20 C21 1.4(3) . . . . ?
C19 C20 C21 C22 -1.1(3) . . . . ?
C20 C21 C22 C17 -0.4(3) . . . . ?
C18 C17 C22 C21 1.5(3) . . . . ?
C2 C17 C22 C21 -178.95(18) . . . . ?
C4 C3 C23 C28 62.4(3) . . . . ?
C2 C3 C23 C28 -111.5(2) . . . . ?
C4 C3 C23 C24 -114.6(2) . . . . ?
C2 C3 C23 C24 71.5(2) . . . . ?
C28 C23 C24 C25 0.3(3) . . . . ?
C3 C23 C24 C25 177.32(17) . . . . ?
C23 C24 C25 C26 -0.2(3) . . . . ?
C24 C25 C26 C27 0.1(3) . . . . ?
C25 C26 C27 C28 -0.1(3) . . . . ?
C26 C27 C28 C23 0.2(3) . . . . ?
C24 C23 C28 C27 -0.3(3) . . . . ?
C3 C23 C28 C27 -177.42(17) . . . . ?
C3 C4 C29 C34 -145.9(2) . . . . ?
P1 C4 C29 C34 32.8(2) . . . . ?
C3 C4 C29 C30 36.9(3) . . . . ?
P1 C4 C29 C30 -144.42(16) . . . . ?
C34 C29 C30 C31 0.9(3) . . . . ?
C4 C29 C30 C31 178.12(17) . . . . ?
C29 C30 C31 C32 -1.1(3) . . . . ?
C30 C31 C32 C33 0.7(3) . . . . ?
C31 C32 C33 C34 -0.2(3) . . . . ?
C32 C33 C34 C29 0.1(3) . . . . ?
C30 C29 C34 C33 -0.4(3) . . . . ?
C4 C29 C34 C33 -177.73(18) . . . . ?
