#------------------------------------------------------------------------------
#$Date: 2022-06-24 02:03:49 +0300 (Fri, 24 Jun 2022) $
#$Revision: 276205 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/05/7710529.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_7710529
loop_
_publ_author_name
'Dankert, Fabian'
'Fischer, Malte'
'Hering-Junghans, Christian'
_publ_section_title
;
 Modulating the reactivity of phosphanylidenephosphoranes towards water
 with Lewis acids
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01575G
_journal_year                    2022
_chemical_formula_moiety         'C30 H39 O P'
_chemical_formula_sum            'C30 H39 O P'
_chemical_formula_weight         446.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-04-13 deposited with the CCDC.	2022-06-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.3830(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2456(2)
_cell_length_b                   16.9887(3)
_cell_length_c                   13.3272(2)
_cell_measurement_reflns_used    9883
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.49
_cell_volume                     2727.15(8)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33442
_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         28.999
_diffrn_reflns_theta_min         1.962
_exptl_absorpt_coefficient_mu    0.119
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.088
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.427
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         7254
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0461
_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)+(0.0642P)²+0.7144P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.1318
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5857
_reflns_number_total             7254
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01575g2.cif
_cod_data_source_block           ax1967_DippTerPOH2_cmpd_1DipTer
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7710529
_shelx_shelxl_version_number     2014/7
_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   0.951
_shelx_estimated_absorpt_t_max   0.980
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
C1 C 0.34689(9) 0.64135(7) 0.26026(8) 0.0235(2) Uani 1 1 d . . . . .
C2 C 0.35672(10) 0.68775(7) 0.17470(9) 0.0277(2) Uani 1 1 d . . . . .
C3 C 0.32214(11) 0.76589(8) 0.17257(9) 0.0320(3) Uani 1 1 d . . . . .
H3 H 0.3298 0.7981 0.1160 0.038 Uiso 1 1 calc R U . . .
C4 C 0.27663(10) 0.79759(7) 0.25170(9) 0.0305(3) Uani 1 1 d . . . . .
H4 H 0.2539 0.8511 0.2493 0.037 Uiso 1 1 calc R U . . .
C5 C 0.26438(10) 0.75101(7) 0.33427(9) 0.0275(2) Uani 1 1 d . . . . .
H5 H 0.2318 0.7727 0.3876 0.033 Uiso 1 1 calc R U . . .
C6 C 0.29920(9) 0.67278(7) 0.34007(8) 0.0239(2) Uani 1 1 d . . . . .
C7 C 0.40505(12) 0.65521(8) 0.08740(10) 0.0371(3) Uani 1 1 d . . . . .
C8 C 0.33669(16) 0.61495(10) 0.00765(11) 0.0520(4) Uani 1 1 d . . . . .
C9 C 0.3857(2) 0.58859(13) -0.07377(14) 0.0747(6) Uani 1 1 d . . . . .
H9 H 0.3410 0.5619 -0.1290 0.090 Uiso 1 1 calc R U . . .
C10 C 0.4950(2) 0.60001(12) -0.07598(17) 0.0799(7) Uani 1 1 d . . . . .
H10 H 0.5255 0.5817 -0.1324 0.096 Uiso 1 1 calc R U . . .
C11 C 0.56154(19) 0.63811(11) 0.00348(16) 0.0671(6) Uani 1 1 d . . . . .
H11 H 0.6382 0.6450 0.0018 0.081 Uiso 1 1 calc R U . . .
C12 C 0.51841(13) 0.66696(9) 0.08668(12) 0.0447(4) Uani 1 1 d . . . . .
C13 C 0.21435(17) 0.60132(13) 0.00555(13) 0.0639(5) Uani 1 1 d . . . . .
H13 H 0.1981 0.6177 0.0734 0.077 Uiso 1 1 calc R U . . .
C14 C 0.1421(3) 0.65229(17) -0.07575(19) 0.1008(9) Uani 1 1 d . . . . .
H14A H 0.1651 0.7074 -0.0664 0.151 Uiso 1 1 calc R U . . .
H14B H 0.0641 0.6473 -0.0689 0.151 Uiso 1 1 calc R U . . .
H14C H 0.1511 0.6346 -0.1438 0.151 Uiso 1 1 calc R U . . .
C15 C 0.1818(2) 0.51468(15) -0.00970(19) 0.0834(7) Uani 1 1 d . . . . .
H15A H 0.1969 0.4966 -0.0757 0.125 Uiso 1 1 calc R U . . .
H15B H 0.1025 0.5087 -0.0083 0.125 Uiso 1 1 calc R U . . .
H15C H 0.2250 0.4832 0.0451 0.125 Uiso 1 1 calc R U . . .
C16 C 0.59290(13) 0.71028(10) 0.17150(14) 0.0509(4) Uani 1 1 d . . . . .
H16 H 0.5503 0.7182 0.2281 0.061 Uiso 1 1 calc R U . . .
C17 C 0.6228(2) 0.79158(12) 0.13534(18) 0.0728(6) Uani 1 1 d . . . . .
H17A H 0.6601 0.7858 0.0766 0.109 Uiso 1 1 calc R U . . .
H17B H 0.6724 0.8184 0.1908 0.109 Uiso 1 1 calc R U . . .
H17C H 0.5549 0.8227 0.1155 0.109 Uiso 1 1 calc R U . . .
C18 C 0.69810(17) 0.66437(15) 0.2147(2) 0.0932(8) Uani 1 1 d . . . . .
H18A H 0.6778 0.6123 0.2371 0.140 Uiso 1 1 calc R U . . .
H18B H 0.7403 0.6930 0.2728 0.140 Uiso 1 1 calc R U . . .
H18C H 0.7437 0.6584 0.1618 0.140 Uiso 1 1 calc R U . . .
C19 C 0.28625(10) 0.62361(7) 0.43054(9) 0.0271(2) Uani 1 1 d . . . . .
C20 C 0.19379(11) 0.57346(8) 0.42420(10) 0.0339(3) Uani 1 1 d . . . . .
C21 C 0.18509(13) 0.52756(9) 0.50922(13) 0.0458(4) Uani 1 1 d . . . . .
H21 H 0.1238 0.4929 0.5065 0.055 Uiso 1 1 calc R U . . .
C22 C 0.26378(15) 0.53168(10) 0.59696(13) 0.0515(4) Uani 1 1 d . . . . .
H22 H 0.2562 0.4999 0.6540 0.062 Uiso 1 1 calc R U . . .
C23 C 0.35342(13) 0.58154(10) 0.60264(11) 0.0454(4) Uani 1 1 d . . . . .
H23 H 0.4069 0.5841 0.6638 0.054 Uiso 1 1 calc R U . . .
C24 C 0.36672(11) 0.62839(8) 0.51968(9) 0.0334(3) Uani 1 1 d . . . . .
C25 C 0.10209(12) 0.57260(10) 0.33088(12) 0.0436(3) Uani 1 1 d . . . . .
H25 H 0.1339 0.5937 0.2723 0.052 Uiso 1 1 calc R U . . .
C26 C 0.05700(16) 0.49029(13) 0.30152(18) 0.0690(5) Uani 1 1 d . . . . .
H26A H 0.1186 0.4552 0.2940 0.104 Uiso 1 1 calc R U . . .
H26B H 0.0044 0.4929 0.2368 0.104 Uiso 1 1 calc R U . . .
H26C H 0.0191 0.4699 0.3549 0.104 Uiso 1 1 calc R U . . .
C27 C 0.00835(13) 0.62756(11) 0.34723(15) 0.0553(4) Uani 1 1 d . . . . .
H27A H -0.0237 0.6089 0.4052 0.083 Uiso 1 1 calc R U . . .
H27B H -0.0492 0.6282 0.2857 0.083 Uiso 1 1 calc R U . . .
H27C H 0.0377 0.6809 0.3613 0.083 Uiso 1 1 calc R U . . .
C28 C 0.46787(12) 0.68172(9) 0.52656(11) 0.0405(3) Uani 1 1 d . . . . .
H28 H 0.4587 0.7124 0.4615 0.049 Uiso 1 1 calc R U . . .
C29 C 0.47747(19) 0.74080(14) 0.61287(19) 0.0820(7) Uani 1 1 d . . . . .
H29A H 0.4131 0.7761 0.6011 0.123 Uiso 1 1 calc R U . . .
H29B H 0.5456 0.7716 0.6158 0.123 Uiso 1 1 calc R U . . .
H29C H 0.4799 0.7129 0.6776 0.123 Uiso 1 1 calc R U . . .
C30 C 0.57480(14) 0.63506(11) 0.53460(16) 0.0596(5) Uani 1 1 d . . . . .
H30A H 0.5905 0.6083 0.6008 0.089 Uiso 1 1 calc R U . . .
H30B H 0.6360 0.6708 0.5285 0.089 Uiso 1 1 calc R U . . .
H30C H 0.5669 0.5959 0.4797 0.089 Uiso 1 1 calc R U . . .
O1 O 0.32384(10) 0.47792(6) 0.22761(8) 0.0467(3) Uani 1 1 d . . . . .
P1 P 0.39893(3) 0.54222(2) 0.26960(2) 0.02931(10) Uani 1 1 d . . . . .
H1 H 0.4398(13) 0.5339(9) 0.3659(11) 0.036(4) Uiso 1 1 d . . . . .
H2 H 0.4882(12) 0.5488(9) 0.2286(11) 0.035(4) Uiso 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 120.45(10) . . ?
C6 C1 P1 119.56(8) . . ?
C2 C1 P1 119.96(8) . . ?
C3 C2 C1 118.68(10) . . ?
C3 C2 C7 119.73(11) . . ?
C1 C2 C7 121.58(11) . . ?
C4 C3 C2 121.14(11) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C5 C4 C3 119.86(11) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.86(11) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 118.96(10) . . ?
C5 C6 C19 120.03(10) . . ?
C1 C6 C19 121.00(10) . . ?
C12 C7 C8 121.23(13) . . ?
C12 C7 C2 118.74(13) . . ?
C8 C7 C2 120.02(13) . . ?
C9 C8 C7 117.38(18) . . ?
C9 C8 C13 119.81(17) . . ?
C7 C8 C13 122.80(13) . . ?
C10 C9 C8 122.1(2) . . ?
C10 C9 H9 119.0 . . ?
C8 C9 H9 119.0 . . ?
C9 C10 C11 119.98(16) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 121.25(19) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C7 118.05(17) . . ?
C11 C12 C16 120.03(16) . . ?
C7 C12 C16 121.92(12) . . ?
C8 C13 C15 112.59(17) . . ?
C8 C13 C14 111.7(2) . . ?
C15 C13 C14 110.22(18) . . ?
C8 C13 H13 107.4 . . ?
C15 C13 H13 107.4 . . ?
C14 C13 H13 107.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 C18 112.82(17) . . ?
C12 C16 C17 110.55(15) . . ?
C18 C16 C17 110.28(16) . . ?
C12 C16 H16 107.7 . . ?
C18 C16 H16 107.7 . . ?
C17 C16 H16 107.7 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 121.38(11) . . ?
C24 C19 C6 119.29(11) . . ?
C20 C19 C6 119.33(11) . . ?
C21 C20 C19 117.90(13) . . ?
C21 C20 C25 120.43(13) . . ?
C19 C20 C25 121.55(11) . . ?
C22 C21 C20 121.14(14) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C21 C22 C23 120.45(13) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C24 120.85(14) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C19 118.27(13) . . ?
C23 C24 C28 120.07(13) . . ?
C19 C24 C28 121.65(11) . . ?
C20 C25 C27 109.98(13) . . ?
C20 C25 C26 113.47(15) . . ?
C27 C25 C26 110.50(13) . . ?
C20 C25 H25 107.5 . . ?
C27 C25 H25 107.5 . . ?
C26 C25 H25 107.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C30 110.15(14) . . ?
C29 C28 C24 112.98(14) . . ?
C30 C28 C24 112.04(13) . . ?
C29 C28 H28 107.1 . . ?
C30 C28 H28 107.1 . . ?
C24 C28 H28 107.1 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O1 P1 C1 118.67(6) . . ?
O1 P1 H1 113.4(7) . . ?
C1 P1 H1 103.9(7) . . ?
O1 P1 H2 114.6(7) . . ?
C1 P1 H2 101.7(7) . . ?
H1 P1 H2 102.7(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
C1 C6 1.4077(15) . ?
C1 C2 1.4092(16) . ?
C1 P1 1.7969(12) . ?
C2 C3 1.3920(17) . ?
C2 C7 1.5025(16) . ?
C3 C4 1.3873(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.3854(17) . ?
C4 H4 0.9500 . ?
C5 C6 1.3937(16) . ?
C5 H5 0.9500 . ?
C6 C19 1.4984(15) . ?
C7 C12 1.404(2) . ?
C7 C8 1.406(2) . ?
C8 C9 1.405(2) . ?
C8 C13 1.511(3) . ?
C9 C10 1.358(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.376(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.400(2) . ?
C11 H11 0.9500 . ?
C12 C16 1.510(3) . ?
C13 C15 1.529(3) . ?
C13 C14 1.536(3) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.527(3) . ?
C16 C17 1.529(2) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.4025(18) . ?
C19 C20 1.4074(18) . ?
C20 C21 1.3952(19) . ?
C20 C25 1.518(2) . ?
C21 C22 1.376(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.378(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.3955(19) . ?
C23 H23 0.9500 . ?
C24 C28 1.524(2) . ?
C25 C27 1.525(2) . ?
C25 C26 1.528(2) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.515(2) . ?
C28 C30 1.518(2) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
O1 P1 1.4719(11) . ?
P1 H1 1.299(15) . ?
P1 H2 1.312(15) . ?
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 2.32(17) . . . . ?
P1 C1 C2 C3 -175.94(9) . . . . ?
C6 C1 C2 C7 -178.68(11) . . . . ?
P1 C1 C2 C7 3.05(16) . . . . ?
C1 C2 C3 C4 -1.34(19) . . . . ?
C7 C2 C3 C4 179.65(12) . . . . ?
C2 C3 C4 C5 -0.42(19) . . . . ?
C3 C4 C5 C6 1.23(19) . . . . ?
C4 C5 C6 C1 -0.25(17) . . . . ?
C4 C5 C6 C19 179.39(11) . . . . ?
C2 C1 C6 C5 -1.55(17) . . . . ?
P1 C1 C6 C5 176.72(9) . . . . ?
C2 C1 C6 C19 178.82(11) . . . . ?
P1 C1 C6 C19 -2.91(15) . . . . ?
C3 C2 C7 C12 84.22(16) . . . . ?
C1 C2 C7 C12 -94.76(15) . . . . ?
C3 C2 C7 C8 -94.80(16) . . . . ?
C1 C2 C7 C8 86.22(16) . . . . ?
C12 C7 C8 C9 -1.4(2) . . . . ?
C2 C7 C8 C9 177.56(15) . . . . ?
C12 C7 C8 C13 -179.84(16) . . . . ?
C2 C7 C8 C13 -0.8(2) . . . . ?
C7 C8 C9 C10 0.9(3) . . . . ?
C13 C8 C9 C10 179.4(2) . . . . ?
C8 C9 C10 C11 0.3(3) . . . . ?
C9 C10 C11 C12 -1.2(3) . . . . ?
C10 C11 C12 C7 0.6(2) . . . . ?
C10 C11 C12 C16 -178.49(16) . . . . ?
C8 C7 C12 C11 0.7(2) . . . . ?
C2 C7 C12 C11 -178.33(13) . . . . ?
C8 C7 C12 C16 179.80(14) . . . . ?
C2 C7 C12 C16 0.8(2) . . . . ?
C9 C8 C13 C15 54.7(2) . . . . ?
C7 C8 C13 C15 -126.92(18) . . . . ?
C9 C8 C13 C14 -69.9(2) . . . . ?
C7 C8 C13 C14 108.45(19) . . . . ?
C11 C12 C16 C18 -52.3(2) . . . . ?
C7 C12 C16 C18 128.56(17) . . . . ?
C11 C12 C16 C17 71.67(19) . . . . ?
C7 C12 C16 C17 -107.42(16) . . . . ?
C5 C6 C19 C24 -83.01(14) . . . . ?
C1 C6 C19 C24 96.62(14) . . . . ?
C5 C6 C19 C20 97.17(14) . . . . ?
C1 C6 C19 C20 -83.20(14) . . . . ?
C24 C19 C20 C21 -0.80(19) . . . . ?
C6 C19 C20 C21 179.02(12) . . . . ?
C24 C19 C20 C25 175.32(12) . . . . ?
C6 C19 C20 C25 -4.86(18) . . . . ?
C19 C20 C21 C22 0.6(2) . . . . ?
C25 C20 C21 C22 -175.53(14) . . . . ?
C20 C21 C22 C23 0.0(2) . . . . ?
C21 C22 C23 C24 -0.4(2) . . . . ?
C22 C23 C24 C19 0.2(2) . . . . ?
C22 C23 C24 C28 -178.54(13) . . . . ?
C20 C19 C24 C23 0.37(18) . . . . ?
C6 C19 C24 C23 -179.44(11) . . . . ?
C20 C19 C24 C28 179.13(12) . . . . ?
C6 C19 C24 C28 -0.68(18) . . . . ?
C21 C20 C25 C27 81.73(17) . . . . ?
C19 C20 C25 C27 -94.29(15) . . . . ?
C21 C20 C25 C26 -42.61(19) . . . . ?
C19 C20 C25 C26 141.37(14) . . . . ?
C23 C24 C28 C29 -58.60(19) . . . . ?
C19 C24 C28 C29 122.67(16) . . . . ?
C23 C24 C28 C30 66.53(18) . . . . ?
C19 C24 C28 C30 -112.21(15) . . . . ?
C6 C1 P1 O1 91.22(10) . . . . ?
C2 C1 P1 O1 -90.50(11) . . . . ?
