#------------------------------------------------------------------------------
#$Date: 2021-06-05 21:47:25 +0300 (Sat, 05 Jun 2021) $
#$Revision: 266063 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/68/7706860.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_7706860
loop_
_publ_author_name
'Hu, Lei'
'Mahaut, Damien'
'Tumanov, Nikolay'
'Wouters, Johan'
'Collard, Laurent'
'Robiette, Raphaël'
'Berionni, Guillaume'
_publ_section_title
;
 Sterically hindered ortho-substituted phosphatriptycenes as
 configurationally stable P-chirogenic triarylphosphines.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4772
_journal_page_last               4777
_journal_paper_doi               10.1039/d1dt00816a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C21 H17 P'
_chemical_formula_sum            'C21 H17 P'
_chemical_formula_weight         300.32
_chemical_name_common
(5s,10s)-1,4-dimethyl-10H-5,10-[1,2]benzenoacridophosphine
_chemical_name_systematic
(5s,10s)-1,4-dimethyl-10H-5,10-[1,2]benzenoacridophosphine
_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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-02-08 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.024(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6630(4)
_cell_length_b                   8.8328(4)
_cell_length_c                   20.9003(8)
_cell_measurement_reflns_used    4485
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      32.4480
_cell_measurement_theta_min      2.3360
_cell_volume                     1583.60(12)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 5.1856
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur, Ruby, Gemini Ultra
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10088
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         2.507
_exptl_absorpt_coefficient_mu    0.167
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.595
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.660
_exptl_crystal_size_mid          0.420
_exptl_crystal_size_min          0.370
_refine_diff_density_max         0.294
_refine_diff_density_min         -0.204
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         4830
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0569P)²+0.3057P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1274
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3752
_reflns_number_total             4830
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00816a2.cif
_cod_data_source_block           nt0758_DAMA105C
_cod_depositor_comments
'Adding full bibliography for 7706848--7706861.cif.'
_cod_original_cell_volume        1583.62(12)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7706860
_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.
;
_shelx_estimated_absorpt_t_min   0.898
_shelx_estimated_absorpt_t_max   0.941
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
P1A P 0.56707(6) 0.83067(6) 0.40339(3) 0.03800(16) Uani 0.899(2) 1 d . U P A 1
C7A C 0.3958(2) 0.6070(3) 0.32176(10) 0.0380(4) Uani 0.899(2) 1 d . U P A 1
H7A H 0.336923 0.531708 0.293856 0.046 Uiso 0.899(2) 1 calc R U P A 1
P1B P 0.3459(8) 0.5791(8) 0.3014(3) 0.060(2) Uani 0.101(2) 1 d . U P A 2
C7B C 0.523(3) 0.796(3) 0.3900(11) 0.050(4) Uani 0.101(2) 1 d . U P A 2
H7B H 0.579610 0.872569 0.418019 0.060 Uiso 0.101(2) 1 calc R U P A 2
C1 C 0.35336(15) 0.81950(15) 0.39348(6) 0.0387(3) Uani 1 1 d . U . . .
C2 C 0.2629(2) 0.91591(19) 0.42541(7) 0.0520(4) Uani 1 1 d . . . . .
H2 H 0.309701 0.992104 0.452093 0.062 Uiso 1 1 calc R U . . .
C3 C 0.1021(2) 0.8976(2) 0.41716(9) 0.0654(5) Uani 1 1 d . . . . .
H3 H 0.040816 0.961966 0.438247 0.079 Uiso 1 1 calc R U . . .
C4 C 0.03360(19) 0.7850(3) 0.37810(9) 0.0661(5) Uani 1 1 d . . . . .
H4 H -0.074080 0.773097 0.373137 0.079 Uiso 1 1 calc R U . . .
C5 C 0.12283(17) 0.6880(2) 0.34570(7) 0.0526(4) Uani 1 1 d . . . . .
H5 H 0.075401 0.611690 0.319264 0.063 Uiso 1 1 calc R U . . .
C6 C 0.28309(15) 0.70642(16) 0.35328(6) 0.0391(3) Uani 1 1 d . . . . .
C8 C 0.48889(15) 0.70647(17) 0.28157(6) 0.0400(3) Uani 1 1 d . . . . .
C9 C 0.49436(18) 0.6892(2) 0.21622(7) 0.0523(4) Uani 1 1 d . . . . .
H9 H 0.436978 0.613185 0.193085 0.063 Uiso 1 1 calc R U . . .
C10 C 0.5865(2) 0.7866(3) 0.18530(8) 0.0672(6) Uani 1 1 d . . . . .
H10 H 0.590170 0.775431 0.141291 0.081 Uiso 1 1 calc R U . . .
C11 C 0.6719(2) 0.8988(3) 0.21910(9) 0.0684(6) Uani 1 1 d . . . . .
H11 H 0.732621 0.963428 0.197870 0.082 Uiso 1 1 calc R U . . .
C12 C 0.66794(17) 0.9162(2) 0.28482(8) 0.0546(4) Uani 1 1 d . . . . .
H12 H 0.726167 0.991979 0.307763 0.066 Uiso 1 1 calc R U . . .
C13 C 0.57628(15) 0.81949(16) 0.31615(7) 0.0403(3) Uani 1 1 d . U . . .
C14 C 0.59553(14) 0.62512(15) 0.41678(6) 0.0362(3) Uani 1 1 d . U . . .
C15 C 0.70224(15) 0.56753(17) 0.46722(6) 0.0404(3) Uani 1 1 d . . . . .
C16 C 0.80134(19) 0.6664(2) 0.51552(8) 0.0565(4) Uani 1 1 d . . . . .
H16A H 0.878102 0.605279 0.541173 0.085 Uiso 1 1 calc R U . . .
H16B H 0.736448 0.714830 0.543091 0.085 Uiso 1 1 calc R U . . .
H16C H 0.852519 0.741971 0.493017 0.085 Uiso 1 1 calc R U . . .
C17 C 0.71408(16) 0.41086(18) 0.47284(6) 0.0460(3) Uani 1 1 d . . . . .
H17 H 0.783600 0.369570 0.506215 0.055 Uiso 1 1 calc R U . . .
C18 C 0.62607(18) 0.31548(17) 0.43052(7) 0.0463(3) Uani 1 1 d . . . . .
H18 H 0.637730 0.211394 0.435906 0.056 Uiso 1 1 calc R U . . .
C19 C 0.51957(16) 0.37081(16) 0.37964(6) 0.0393(3) Uani 1 1 d . . . . .
C20 C 0.4288(2) 0.2626(2) 0.33338(8) 0.0600(4) Uani 1 1 d . . . . .
H20A H 0.459618 0.274342 0.291293 0.090 Uiso 1 1 calc R U . . .
H20B H 0.319418 0.283549 0.331137 0.090 Uiso 1 1 calc R U . . .
H20C H 0.449251 0.160681 0.348144 0.090 Uiso 1 1 calc R U . . .
C21 C 0.50522(14) 0.52768(15) 0.37377(6) 0.0351(3) 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'
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
C1 P1A C13 93.89(6) . . ?
C1 P1A C14 94.32(6) . . ?
C13 P1A C14 94.25(6) . . ?
C21 C7A C8 109.72(14) . . ?
C21 C7A C6 109.31(14) . . ?
C8 C7A C6 109.02(16) . . ?
C21 C7A H7A 109.6 . . ?
C8 C7A H7A 109.6 . . ?
C6 C7A H7A 109.6 . . ?
C6 P1B C8 91.5(3) . . ?
C6 P1B C21 85.1(3) . . ?
C8 P1B C21 83.5(3) . . ?
C1 C7B C13 115.1(14) . . ?
C1 C7B C14 115.3(15) . . ?
C13 C7B C14 106.1(12) . . ?
C1 C7B H7B 106.6 . . ?
C13 C7B H7B 106.6 . . ?
C14 C7B H7B 106.6 . . ?
C2 C1 C6 120.15(13) . . ?
C2 C1 C7B 137.1(9) . . ?
C6 C1 C7B 102.8(9) . . ?
C2 C1 P1A 122.68(12) . . ?
C6 C1 P1A 117.15(10) . . ?
C1 C2 C3 119.46(16) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C4 C3 C2 120.17(16) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.91(15) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 119.22(16) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 C1 120.08(14) . . ?
C5 C6 C7A 125.01(15) . . ?
C1 C6 C7A 114.89(13) . . ?
C5 C6 P1B 104.7(3) . . ?
C1 C6 P1B 135.0(3) . . ?
C9 C8 C13 120.06(14) . . ?
C9 C8 C7A 125.17(15) . . ?
C13 C8 C7A 114.75(13) . . ?
C9 C8 P1B 106.5(3) . . ?
C13 C8 P1B 133.1(3) . . ?
C8 C9 C10 119.46(17) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C11 C10 C9 120.66(15) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.25(15) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C13 119.52(17) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C12 C13 C8 120.04(14) . . ?
C12 C13 C7B 139.0(9) . . ?
C8 C13 C7B 100.9(9) . . ?
C12 C13 P1A 122.72(12) . . ?
C8 C13 P1A 117.22(10) . . ?
C15 C14 C21 120.77(13) . . ?
C15 C14 C7B 138.3(8) . . ?
C21 C14 C7B 100.8(8) . . ?
C15 C14 P1A 122.14(11) . . ?
C21 C14 P1A 117.09(10) . . ?
C17 C15 C14 117.32(13) . . ?
C17 C15 C16 119.39(13) . . ?
C14 C15 C16 123.28(14) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C15 121.88(12) . . ?
C18 C17 H17 119.1 . . ?
C15 C17 H17 119.1 . . ?
C17 C18 C19 121.65(13) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C21 C19 C18 117.14(13) . . ?
C21 C19 C20 122.92(13) . . ?
C18 C19 C20 119.93(14) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 C14 121.24(12) . . ?
C19 C21 C7A 124.29(14) . . ?
C14 C21 C7A 114.47(13) . . ?
C19 C21 P1B 110.1(2) . . ?
C14 C21 P1B 128.6(2) . . ?
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
P1A C1 1.8366(14) . ?
P1A C13 1.8388(15) . ?
P1A C14 1.8483(15) . ?
C7A C21 1.511(2) . ?
C7A C8 1.522(3) . ?
C7A C6 1.529(3) . ?
C7A H7A 0.9800 . ?
P1B C6 1.704(7) . ?
P1B C8 1.764(7) . ?
P1B C21 1.954(7) . ?
C7B C1 1.50(2) . ?
C7B C13 1.68(2) . ?
C7B C14 1.70(2) . ?
C7B H7B 0.9800 . ?
C1 C2 1.389(2) . ?
C1 C6 1.3898(19) . ?
C2 C3 1.390(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.368(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.3848(19) . ?
C5 H5 0.9300 . ?
C8 C9 1.3816(19) . ?
C8 C13 1.393(2) . ?
C9 C10 1.392(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.372(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.387(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.391(2) . ?
C12 H12 0.9300 . ?
C14 C15 1.3974(18) . ?
C14 C21 1.4017(18) . ?
C15 C17 1.391(2) . ?
C15 C16 1.509(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.373(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.395(2) . ?
C18 H18 0.9300 . ?
C19 C21 1.3950(19) . ?
C19 C20 1.502(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
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
C13 C7B C1 C2 -119.0(12) . . . . ?
C14 C7B C1 C2 117.1(13) . . . . ?
C13 C7B C1 C6 62.6(15) . . . . ?
C14 C7B C1 C6 -61.3(14) . . . . ?
C13 P1A C1 C2 -133.50(12) . . . . ?
C14 P1A C1 C2 131.94(12) . . . . ?
C13 P1A C1 C6 48.08(11) . . . . ?
C14 P1A C1 C6 -46.48(11) . . . . ?
C6 C1 C2 C3 0.5(2) . . . . ?
C7B C1 C2 C3 -177.7(13) . . . . ?
P1A C1 C2 C3 -177.91(11) . . . . ?
C1 C2 C3 C4 0.3(2) . . . . ?
C2 C3 C4 C5 -0.5(3) . . . . ?
C3 C4 C5 C6 -0.1(2) . . . . ?
C4 C5 C6 C1 0.8(2) . . . . ?
C4 C5 C6 C7A 178.87(16) . . . . ?
C4 C5 C6 P1B -175.0(3) . . . . ?
C2 C1 C6 C5 -1.0(2) . . . . ?
C7B C1 C6 C5 177.7(9) . . . . ?
P1A C1 C6 C5 177.46(10) . . . . ?
C2 C1 C6 C7A -179.26(14) . . . . ?
P1A C1 C6 C7A -0.80(17) . . . . ?
C2 C1 C6 P1B 173.2(3) . . . . ?
C7B C1 C6 P1B -8.1(10) . . . . ?
C21 C7A C6 C5 -117.43(16) . . . . ?
C8 C7A C6 C5 122.64(15) . . . . ?
C21 C7A C6 C1 60.74(18) . . . . ?
C8 C7A C6 C1 -59.19(18) . . . . ?
C8 P1B C6 C5 142.5(2) . . . . ?
C21 P1B C6 C5 -134.16(19) . . . . ?
C8 P1B C6 C1 -32.3(5) . . . . ?
C21 P1B C6 C1 51.1(4) . . . . ?
C21 C7A C8 C9 117.97(16) . . . . ?
C6 C7A C8 C9 -122.35(15) . . . . ?
C21 C7A C8 C13 -60.35(19) . . . . ?
C6 C7A C8 C13 59.33(18) . . . . ?
C6 P1B C8 C9 -141.8(2) . . . . ?
C21 P1B C8 C9 133.35(17) . . . . ?
C6 P1B C8 C13 31.4(5) . . . . ?
C21 P1B C8 C13 -53.4(4) . . . . ?
C13 C8 C9 C10 -0.7(2) . . . . ?
C7A C8 C9 C10 -178.90(16) . . . . ?
P1B C8 C9 C10 173.6(3) . . . . ?
C8 C9 C10 C11 0.2(2) . . . . ?
C9 C10 C11 C12 0.3(3) . . . . ?
C10 C11 C12 C13 -0.3(2) . . . . ?
C11 C12 C13 C8 -0.2(2) . . . . ?
C11 C12 C13 C7B -176.0(12) . . . . ?
C11 C12 C13 P1A 178.50(12) . . . . ?
C9 C8 C13 C12 0.7(2) . . . . ?
C7A C8 C13 C12 179.08(14) . . . . ?
P1B C8 C13 C12 -171.8(3) . . . . ?
C9 C8 C13 C7B 177.9(8) . . . . ?
P1B C8 C13 C7B 5.4(8) . . . . ?
C9 C8 C13 P1A -178.10(10) . . . . ?
C7A C8 C13 P1A 0.31(17) . . . . ?
C1 C7B C13 C12 114.6(14) . . . . ?
C14 C7B C13 C12 -116.7(11) . . . . ?
C1 C7B C13 C8 -61.7(15) . . . . ?
C14 C7B C13 C8 67.0(12) . . . . ?
C1 P1A C13 C12 133.34(12) . . . . ?
C14 P1A C13 C12 -132.03(12) . . . . ?
C1 P1A C13 C8 -47.93(11) . . . . ?
C14 P1A C13 C8 46.71(11) . . . . ?
C1 C7B C14 C15 -114.1(14) . . . . ?
C13 C7B C14 C15 117.3(10) . . . . ?
C1 C7B C14 C21 61.3(14) . . . . ?
C13 C7B C14 C21 -67.3(12) . . . . ?
C1 P1A C14 C15 -132.99(11) . . . . ?
C13 P1A C14 C15 132.78(11) . . . . ?
C1 P1A C14 C21 47.19(10) . . . . ?
C13 P1A C14 C21 -47.04(10) . . . . ?
C21 C14 C15 C17 -0.24(18) . . . . ?
C7B C14 C15 C17 174.5(12) . . . . ?
P1A C14 C15 C17 179.95(10) . . . . ?
C21 C14 C15 C16 -179.26(12) . . . . ?
C7B C14 C15 C16 -4.5(12) . . . . ?
P1A C14 C15 C16 0.93(18) . . . . ?
C14 C15 C17 C18 0.5(2) . . . . ?
C16 C15 C17 C18 179.59(13) . . . . ?
C15 C17 C18 C19 -0.2(2) . . . . ?
C17 C18 C19 C21 -0.5(2) . . . . ?
C17 C18 C19 C20 178.34(14) . . . . ?
C18 C19 C21 C14 0.76(18) . . . . ?
C20 C19 C21 C14 -178.02(13) . . . . ?
C18 C19 C21 C7A -179.93(14) . . . . ?
C20 C19 C21 C7A 1.3(2) . . . . ?
C18 C19 C21 P1B -178.2(2) . . . . ?
C20 C19 C21 P1B 3.0(3) . . . . ?
C15 C14 C21 C19 -0.41(18) . . . . ?
C7B C14 C21 C19 -176.8(8) . . . . ?
P1A C14 C21 C19 179.41(10) . . . . ?
C15 C14 C21 C7A -179.79(13) . . . . ?
P1A C14 C21 C7A 0.03(16) . . . . ?
C15 C14 C21 P1B 178.4(3) . . . . ?
C7B C14 C21 P1B 1.9(8) . . . . ?
C8 C7A C21 C19 -119.59(15) . . . . ?
C6 C7A C21 C19 120.90(15) . . . . ?
C8 C7A C21 C14 59.77(18) . . . . ?
C6 C7A C21 C14 -59.74(17) . . . . ?
