#------------------------------------------------------------------------------
#$Date: 2022-04-08 04:15:56 +0300 (Fri, 08 Apr 2022) $
#$Revision: 274426 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/47/7244744.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_7244744
loop_
_publ_author_name
'Ziółkowska, Aleksandra'
'Szynkiewicz, Natalia'
'Ponikiewski, Łukasz'
_publ_section_title
;
 Activation of the CP bond in phosphanylphosphaalkenes
 (CP--P bond system) in the reaction with nucleophilic reagents:
 MeLi, nBuLi and tBuLi
;
_journal_issue                   18
_journal_name_full               'RSC Advances'
_journal_page_first              10989
_journal_page_last               10996
_journal_paper_doi               10.1039/D1RA09215D
_journal_volume                  12
_journal_year                    2022
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C23 H40 P2'
_chemical_formula_sum            'C23 H40 P2'
_chemical_formula_weight         378.49
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2021-09-24T11:16:52-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-03-31 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8649(3)
_cell_length_b                   12.6361(4)
_cell_length_c                   15.6655(4)
_cell_measurement_reflns_used    15829
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.35
_cell_measurement_theta_min      2.35
_cell_measurement_wavelength     0.71073
_cell_volume                     2348.67(11)
_computing_cell_refinement
;
X-Area Recipe 1.34.0.0 (STOE, 2019)
;
_computing_data_collection
;
X-Area WinXpose 2.0.22.0 (STOE, 2016)
;
_computing_data_reduction
;
X-Area Integrate 1.77.0.0 (STOE, 2019)
X-Area X-Red32 1.65.0.0 (STOE, 2018) 
;
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE Imaging Plate'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      ' 158 frames, detector distance = 100 mm'
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'parabolic x-ray mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14372
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.997
_diffrn_reflns_theta_min         2.355
_diffrn_source                   'GeniX Mo, 0.05 x 0.05 mm2 microfocus'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.189
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.07
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.182
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details
;
 Flack x determined using 1876 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.11(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     238
_refine_ls_number_reflns         5657
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0371P)²+0.5579P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0828
_reflns_Friedel_coverage         0.78
_reflns_Friedel_fraction_full    1
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                4791
_reflns_number_total             5657
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ra09215d2.cif
_cod_data_source_block           shelx
_cod_database_code               7244744
_shelx_estimated_absorpt_t_min   0.963
_shelx_estimated_absorpt_t_max   0.98
loop_
_symmetry_equiv_pos_as_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 0.5953(2) 0.43811(18) 0.45506(15) 0.0198(5) Uani 1 1 d . . . . .
H1 H 0.622235 0.446024 0.398298 0.024 Uiso 1 1 calc R U . . .
C2 C 0.6220(2) 0.52221(17) 0.51630(15) 0.0180(5) Uani 1 1 d . . . . .
C3 C 0.5711(2) 0.52528(18) 0.59762(15) 0.0188(5) Uani 1 1 d . . . . .
H3 H 0.514121 0.475286 0.611472 0.023 Uiso 1 1 calc R U . . .
C4 C 0.6028(2) 0.60008(18) 0.65755(15) 0.0191(5) Uani 1 1 d . . . . .
C5 C 0.6866(2) 0.67318(19) 0.63486(15) 0.0200(5) Uani 1 1 d . . . . .
H5 H 0.709969 0.72386 0.676013 0.024 Uiso 1 1 calc R U . . .
C6 C 0.73702(19) 0.67462(19) 0.55463(14) 0.0188(5) Uani 1 1 d . . . . .
C7 C 0.7028(2) 0.59783(18) 0.49590(14) 0.0191(5) Uani 1 1 d . . . . .
H7 H 0.735622 0.597264 0.440578 0.023 Uiso 1 1 calc R U . . .
C8 C 0.5525(2) 0.60372(18) 0.74775(15) 0.0208(5) Uani 1 1 d . . . . .
C9 C 0.4564(2) 0.5250(2) 0.75976(16) 0.0305(6) Uani 1 1 d . . . . .
H9A H 0.484408 0.453 0.750347 0.046 Uiso 1 1 calc R U . . .
H9B H 0.396277 0.54048 0.718703 0.046 Uiso 1 1 calc R U . . .
H9C H 0.426692 0.530987 0.817933 0.046 Uiso 1 1 calc R U . . .
C10 C 0.6460(2) 0.5778(2) 0.81210(16) 0.0299(6) Uani 1 1 d . . . . .
H10A H 0.615437 0.580984 0.870155 0.045 Uiso 1 1 calc R U . . .
H10B H 0.707265 0.629306 0.806283 0.045 Uiso 1 1 calc R U . . .
H10C H 0.67503 0.506506 0.800947 0.045 Uiso 1 1 calc R U . . .
C11 C 0.5072(2) 0.71546(18) 0.76593(16) 0.0259(6) Uani 1 1 d . . . . .
H11A H 0.473062 0.717172 0.822862 0.039 Uiso 1 1 calc R U . . .
H11B H 0.450383 0.734009 0.72308 0.039 Uiso 1 1 calc R U . . .
H11C H 0.569391 0.766441 0.763418 0.039 Uiso 1 1 calc R U . . .
C12 C 0.82691(19) 0.7559(2) 0.53001(15) 0.0212(5) Uani 1 1 d . . . . .
C13 C 0.8466(3) 0.8386(2) 0.59965(18) 0.0352(7) Uani 1 1 d . . . . .
H13A H 0.875119 0.803797 0.651183 0.053 Uiso 1 1 calc R U . . .
H13B H 0.775384 0.874472 0.612712 0.053 Uiso 1 1 calc R U . . .
H13C H 0.901843 0.890698 0.57968 0.053 Uiso 1 1 calc R U . . .
C14 C 0.7893(2) 0.8146(2) 0.44908(17) 0.0306(6) Uani 1 1 d . . . . .
H14A H 0.716339 0.848644 0.459344 0.046 Uiso 1 1 calc R U . . .
H14B H 0.782164 0.76409 0.401909 0.046 Uiso 1 1 calc R U . . .
H14C H 0.845385 0.868503 0.434312 0.046 Uiso 1 1 calc R U . . .
C15 C 0.9387(2) 0.6994(2) 0.5118(2) 0.0353(7) Uani 1 1 d . . . . .
H15A H 0.994977 0.751349 0.493278 0.053 Uiso 1 1 calc R U . . .
H15B H 0.927496 0.64677 0.46667 0.053 Uiso 1 1 calc R U . . .
H15C H 0.96503 0.664126 0.563788 0.053 Uiso 1 1 calc R U . . .
C16 C 0.6060(2) 0.1188(2) 0.39320(16) 0.0239(5) Uani 1 1 d . . . . .
C17 C 0.5733(3) 0.0791(2) 0.48220(17) 0.0311(6) Uani 1 1 d . . . . .
H17A H 0.492344 0.064077 0.483665 0.047 Uiso 1 1 calc R U . . .
H17B H 0.591274 0.133553 0.524666 0.047 Uiso 1 1 calc R U . . .
H17C H 0.615487 0.014431 0.495221 0.047 Uiso 1 1 calc R U . . .
C18 C 0.7317(2) 0.1478(2) 0.3946(2) 0.0354(7) Uani 1 1 d . . . . .
H18A H 0.743571 0.208083 0.432842 0.053 Uiso 1 1 calc R U . . .
H18B H 0.75621 0.166639 0.336786 0.053 Uiso 1 1 calc R U . . .
H18C H 0.77553 0.087068 0.414903 0.053 Uiso 1 1 calc R U . . .
C19 C 0.5890(3) 0.0300(2) 0.32811(17) 0.0315(6) Uani 1 1 d . . . . .
H19A H 0.638896 -0.029334 0.342056 0.047 Uiso 1 1 calc R U . . .
H19B H 0.60689 0.05633 0.270826 0.047 Uiso 1 1 calc R U . . .
H19C H 0.51047 0.006229 0.32973 0.047 Uiso 1 1 calc R U . . .
C20 C 0.3795(2) 0.2173(2) 0.33324(16) 0.0257(6) Uani 1 1 d . . . . .
C21 C 0.3697(3) 0.1740(3) 0.24204(17) 0.0365(7) Uani 1 1 d . . . . .
H21A H 0.407526 0.105126 0.238633 0.055 Uiso 1 1 calc R U . . .
H21B H 0.405473 0.223407 0.202152 0.055 Uiso 1 1 calc R U . . .
H21C H 0.290034 0.165654 0.22708 0.055 Uiso 1 1 calc R U . . .
C22 C 0.3222(2) 0.3260(2) 0.33552(19) 0.0350(6) Uani 1 1 d . . . . .
H22A H 0.246479 0.320404 0.311015 0.052 Uiso 1 1 calc R U . . .
H22B H 0.366811 0.376575 0.302243 0.052 Uiso 1 1 calc R U . . .
H22C H 0.31684 0.350384 0.394748 0.052 Uiso 1 1 calc R U . . .
C23 C 0.3181(2) 0.1437(2) 0.3951(2) 0.0326(7) Uani 1 1 d . . . . .
H23A H 0.237434 0.143081 0.381603 0.049 Uiso 1 1 calc R U . . .
H23B H 0.328932 0.168958 0.453699 0.049 Uiso 1 1 calc R U . . .
H23C H 0.348502 0.071935 0.389734 0.049 Uiso 1 1 calc R U . . .
P1 P 0.52075(6) 0.32890(5) 0.47795(4) 0.02388(15) Uani 1 1 d . . . . .
P2 P 0.53396(5) 0.24443(4) 0.35489(4) 0.01844(13) 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 0 '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
C2 C1 P1 124.75(18) . . ?
C2 C1 H1 117.6 . . ?
P1 C1 H1 117.6 . . ?
C7 C2 C3 118.9(2) . . ?
C7 C2 C1 119.8(2) . . ?
C3 C2 C1 121.2(2) . . ?
C4 C3 C2 121.0(2) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 118.1(2) . . ?
C3 C4 C8 122.6(2) . . ?
C5 C4 C8 119.3(2) . . ?
C6 C5 C4 122.8(2) . . ?
C6 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
C5 C6 C7 117.4(2) . . ?
C5 C6 C12 122.4(2) . . ?
C7 C6 C12 120.2(2) . . ?
C2 C7 C6 121.7(2) . . ?
C2 C7 H7 119.1 . . ?
C6 C7 H7 119.1 . . ?
C9 C8 C10 108.7(2) . . ?
C9 C8 C4 112.63(19) . . ?
C10 C8 C4 108.5(2) . . ?
C9 C8 C11 108.4(2) . . ?
C10 C8 C11 109.1(2) . . ?
C4 C8 C11 109.5(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C6 112.7(2) . . ?
C13 C12 C15 108.6(2) . . ?
C6 C12 C15 109.7(2) . . ?
C13 C12 C14 107.7(2) . . ?
C6 C12 C14 109.26(19) . . ?
C15 C12 C14 108.8(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C19 C16 C17 109.5(2) . . ?
C19 C16 C18 108.2(2) . . ?
C17 C16 C18 108.1(2) . . ?
C19 C16 P2 110.05(18) . . ?
C17 C16 P2 116.54(18) . . ?
C18 C16 P2 104.03(18) . . ?
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 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C23 C20 C22 108.6(2) . . ?
C23 C20 C21 109.7(2) . . ?
C22 C20 C21 108.0(2) . . ?
C23 C20 P2 117.21(19) . . ?
C22 C20 P2 105.23(17) . . ?
C21 C20 P2 107.68(19) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C1 P1 P2 99.99(8) . . ?
C20 P2 C16 109.94(12) . . ?
C20 P2 P1 100.07(8) . . ?
C16 P2 P1 99.20(8) . . ?
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 C2 1.466(3) . ?
C1 P1 1.678(2) . ?
C1 H1 0.95 . ?
C2 C7 1.391(3) . ?
C2 C3 1.411(3) . ?
C3 C4 1.384(3) . ?
C3 H3 0.95 . ?
C4 C5 1.403(3) . ?
C4 C8 1.535(3) . ?
C5 C6 1.392(3) . ?
C5 H5 0.95 . ?
C6 C7 1.397(3) . ?
C6 C12 1.530(3) . ?
C7 H7 0.95 . ?
C8 C9 1.525(3) . ?
C8 C10 1.534(4) . ?
C8 C11 1.537(3) . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C12 C13 1.529(3) . ?
C12 C15 1.533(4) . ?
C12 C14 1.535(3) . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 C19 1.529(3) . ?
C16 C17 1.532(3) . ?
C16 C18 1.535(4) . ?
C16 P2 1.900(3) . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C23 1.528(4) . ?
C20 C22 1.532(4) . ?
C20 C21 1.535(4) . ?
C20 P2 1.895(3) . ?
C21 H21A 0.98 . ?
C21 H21B 0.98 . ?
C21 H21C 0.98 . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
P1 P2 2.2092(8) . ?
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
P1 C1 C2 C7 166.88(19) . . . . ?
P1 C1 C2 C3 -10.1(3) . . . . ?
C7 C2 C3 C4 -1.9(3) . . . . ?
C1 C2 C3 C4 175.0(2) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C2 C3 C4 C8 -177.8(2) . . . . ?
C3 C4 C5 C6 1.3(4) . . . . ?
C8 C4 C5 C6 179.5(2) . . . . ?
C4 C5 C6 C7 -1.3(4) . . . . ?
C4 C5 C6 C12 178.9(2) . . . . ?
C3 C2 C7 C6 1.9(3) . . . . ?
C1 C2 C7 C6 -175.1(2) . . . . ?
C5 C6 C7 C2 -0.3(3) . . . . ?
C12 C6 C7 C2 179.5(2) . . . . ?
C3 C4 C8 C9 -6.3(3) . . . . ?
C5 C4 C8 C9 175.5(2) . . . . ?
C3 C4 C8 C10 114.0(3) . . . . ?
C5 C4 C8 C10 -64.1(3) . . . . ?
C3 C4 C8 C11 -127.0(2) . . . . ?
C5 C4 C8 C11 54.8(3) . . . . ?
C5 C6 C12 C13 -4.8(3) . . . . ?
C7 C6 C12 C13 175.4(2) . . . . ?
C5 C6 C12 C15 116.4(3) . . . . ?
C7 C6 C12 C15 -63.4(3) . . . . ?
C5 C6 C12 C14 -124.4(2) . . . . ?
C7 C6 C12 C14 55.8(3) . . . . ?
C2 C1 P1 P2 -175.78(19) . . . . ?
C23 C20 P2 C16 38.9(2) . . . . ?
C22 C20 P2 C16 159.76(17) . . . . ?
C21 C20 P2 C16 -85.3(2) . . . . ?
C23 C20 P2 P1 -64.8(2) . . . . ?
C22 C20 P2 P1 56.04(17) . . . . ?
C21 C20 P2 P1 171.03(17) . . . . ?
