#------------------------------------------------------------------------------
#$Date: 2024-03-04 21:48:12 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290082 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/26/7132682.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_7132682
loop_
_publ_author_name
'Gleim, Florian'
'Schnakenburg, Gregor'
'Ferao, Arturo Espinosa'
'Streubel, Rainer'
_publ_section_title
;
 Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as
 an entry point to beta-halo phosphane oxides and P-containing oligomers.
;
_journal_issue                   19
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2625
_journal_page_last               2628
_journal_paper_doi               10.1039/d4cc00254g
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C24 H24 Br O3 P'
_chemical_formula_sum            'C24 H24 Br O3 P'
_chemical_formula_weight         471.31
_chemical_name_systematic        FLG-327
_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_creation_date             2022-03-25
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-08-22 deposited with the CCDC.	2024-02-01 downloaded from the CCDC.
;
_cell_angle_alpha                97.716(3)
_cell_angle_beta                 112.057(3)
_cell_angle_gamma                109.430(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5566(7)
_cell_length_b                   10.8740(7)
_cell_length_c                   12.1513(8)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.38
_cell_volume                     1054.03(13)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker Photon100 detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            45848
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.027
_diffrn_reflns_theta_min         1.893
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.049
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6550
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0817 before and 0.0565 after correction.
The Ratio of minimum to maximum transmission is 0.8780.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_description       plate
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         6159
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0258P)²+0.6468P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0661
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5622
_reflns_number_total             6159
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc00254g2.cif
_cod_data_source_block           10a
_cod_depositor_comments
'Adding full bibliography for 7132681--7132686.cif.'
_cod_database_code               7132682
_shelx_shelxl_version_number     2017/1
_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_max   0.923
_shelx_estimated_absorpt_t_min   0.440
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
2.c Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Br Br 0.85151(2) 0.43736(2) 0.73039(2) 0.01984(5) Uani 1 1 d . . . . .
P P 0.62311(4) 0.45148(3) 0.33568(3) 0.01234(7) Uani 1 1 d . . . . .
O1 O 0.52348(12) 0.51857(10) 0.36432(9) 0.01593(19) Uani 1 1 d . . . . .
O2 O 0.92910(15) 0.76414(11) 0.43171(11) 0.0277(2) Uani 1 1 d . . . . .
O3 O 0.71575(15) 0.75135(11) 0.25927(11) 0.0245(2) Uani 1 1 d . . . . .
C1 C 0.77425(16) 0.44657(14) 0.47978(13) 0.0157(2) Uani 1 1 d . . . . .
H1A H 0.837333 0.398608 0.459739 0.019 Uiso 1 1 calc R . . . .
H1B H 0.854021 0.541152 0.531739 0.019 Uiso 1 1 calc R . . . .
C2 C 0.69373(16) 0.37514(14) 0.55363(12) 0.0153(2) Uani 1 1 d . . . . .
H2A H 0.654562 0.275227 0.520952 0.018 Uiso 1 1 calc R . . . .
H2B H 0.596149 0.394373 0.543737 0.018 Uiso 1 1 calc R . . . .
C3 C 0.75041(18) 0.55018(14) 0.27041(14) 0.0169(3) Uani 1 1 d . . . . .
H3A H 0.846079 0.526594 0.284842 0.020 Uiso 1 1 calc R . . . .
H3B H 0.683752 0.528133 0.179614 0.020 Uiso 1 1 calc R . . . .
C4 C 0.81150(18) 0.69999(14) 0.33157(14) 0.0189(3) Uani 1 1 d . . . . .
C5 C 0.7612(3) 0.89560(18) 0.30554(19) 0.0360(4) Uani 1 1 d . . . . .
H5A H 0.713431 0.929367 0.236104 0.054 Uiso 1 1 calc GR . . . .
H5B H 0.882431 0.945068 0.346275 0.054 Uiso 1 1 calc GR . . . .
H5C H 0.718389 0.910097 0.365592 0.054 Uiso 1 1 calc GR . . . .
C6 C 0.49800(16) 0.27760(13) 0.21785(12) 0.0133(2) Uani 1 1 d . . . . .
C7 C 0.34742(17) 0.27535(14) 0.10726(12) 0.0146(2) Uani 1 1 d . . . . .
C8 C 0.23177(18) 0.14665(14) 0.02265(13) 0.0183(3) Uani 1 1 d . . . . .
H8 H 0.250126 0.067961 0.035496 0.022 Uiso 1 1 calc R . . . .
C9 C 0.09125(19) 0.13216(15) -0.07934(14) 0.0204(3) Uani 1 1 d . . . . .
H9 H 0.014166 0.044115 -0.135455 0.025 Uiso 1 1 calc R . . . .
C10 C 0.06311(19) 0.24652(16) -0.09951(13) 0.0203(3) Uani 1 1 d . . . . .
H10 H -0.032813 0.237117 -0.169475 0.024 Uiso 1 1 calc R . . . .
C11 C 0.17634(19) 0.37447(15) -0.01658(13) 0.0194(3) Uani 1 1 d . . . . .
H11 H 0.157231 0.452767 -0.029868 0.023 Uiso 1 1 calc R . . . .
C12 C 0.31808(18) 0.38937(14) 0.08621(13) 0.0168(3) Uani 1 1 d . . . . .
H12 H 0.394879 0.477620 0.142060 0.020 Uiso 1 1 calc R . . . .
C13 C 0.42395(16) 0.17731(13) 0.28054(12) 0.0137(2) Uani 1 1 d . . . . .
C14 C 0.33079(17) 0.20848(14) 0.33664(13) 0.0160(2) Uani 1 1 d . . . . .
H14 H 0.316861 0.291036 0.336980 0.019 Uiso 1 1 calc R . . . .
C15 C 0.25853(17) 0.11962(15) 0.39183(13) 0.0185(3) Uani 1 1 d . . . . .
H15 H 0.197680 0.142760 0.431091 0.022 Uiso 1 1 calc R . . . .
C16 C 0.27507(18) -0.00287(15) 0.38971(14) 0.0204(3) Uani 1 1 d . . . . .
H16 H 0.226966 -0.062940 0.428312 0.025 Uiso 1 1 calc R . . . .
C17 C 0.36212(18) -0.03664(14) 0.33095(14) 0.0196(3) Uani 1 1 d . . . . .
H17 H 0.371793 -0.121064 0.327843 0.024 Uiso 1 1 calc R . . . .
C18 C 0.43576(17) 0.05247(14) 0.27626(13) 0.0168(3) Uani 1 1 d . . . . .
H18 H 0.494530 0.027875 0.235690 0.020 Uiso 1 1 calc R . . . .
C19 C 0.61774(17) 0.24555(13) 0.17488(13) 0.0158(2) Uani 1 1 d . . . . .
C20 C 0.6105(2) 0.25452(14) 0.05943(14) 0.0205(3) Uani 1 1 d . . . . .
H20 H 0.524082 0.272305 0.003376 0.025 Uiso 1 1 calc R . . . .
C21 C 0.7290(2) 0.23764(16) 0.02534(16) 0.0267(3) Uani 1 1 d . . . . .
H21 H 0.721911 0.243942 -0.053641 0.032 Uiso 1 1 calc R . . . .
C22 C 0.8560(2) 0.21191(16) 0.10514(18) 0.0287(4) Uani 1 1 d . . . . .
H22 H 0.936600 0.201186 0.081737 0.034 Uiso 1 1 calc R . . . .
C23 C 0.8645(2) 0.20192(15) 0.21997(17) 0.0253(3) Uani 1 1 d . . . . .
H23 H 0.951106 0.183728 0.275289 0.030 Uiso 1 1 calc R . . . .
C24 C 0.74737(18) 0.21833(14) 0.25457(15) 0.0191(3) Uani 1 1 d . . . . .
H24 H 0.754888 0.211059 0.333449 0.023 Uiso 1 1 calc R . . . .
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'
Br Br -0.2901 2.4595 '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 P C1 109.49(6) . . ?
O1 P C3 112.11(6) . . ?
O1 P C6 114.89(6) . . ?
C1 P C3 104.05(7) . . ?
C1 P C6 111.32(6) . . ?
C3 P C6 104.36(6) . . ?
C4 O3 C5 116.43(14) . . ?
P C1 H1A 109.1 . . ?
P C1 H1B 109.1 . . ?
H1A C1 H1B 107.8 . . ?
C2 C1 P 112.67(9) . . ?
C2 C1 H1A 109.1 . . ?
C2 C1 H1B 109.1 . . ?
Br C2 H2A 109.5 . . ?
Br C2 H2B 109.5 . . ?
C1 C2 Br 110.83(9) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
P C3 H3A 109.9 . . ?
P C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
C4 C3 P 109.14(9) . . ?
C4 C3 H3A 109.9 . . ?
C4 C3 H3B 109.9 . . ?
O2 C4 O3 124.97(14) . . ?
O2 C4 C3 124.84(14) . . ?
O3 C4 C3 110.19(13) . . ?
O3 C5 H5A 109.5 . . ?
O3 C5 H5B 109.5 . . ?
O3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 P 111.22(9) . . ?
C13 C6 P 107.72(9) . . ?
C13 C6 C7 105.70(10) . . ?
C19 C6 P 106.06(9) . . ?
C19 C6 C7 111.26(11) . . ?
C19 C6 C13 114.91(11) . . ?
C8 C7 C6 116.21(12) . . ?
C12 C7 C6 125.46(12) . . ?
C12 C7 C8 118.33(13) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 C7 121.24(13) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 119.99(14) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.3 . . ?
C11 C10 C9 119.43(13) . . ?
C11 C10 H10 120.3 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.70(13) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 120.31(13) . . ?
C7 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C14 C13 C6 118.62(12) . . ?
C18 C13 C6 122.82(12) . . ?
C18 C13 C14 118.40(12) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.64(13) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.26(14) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.52(13) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.44(14) . . ?
C18 C17 H17 119.8 . . ?
C13 C18 C17 120.67(13) . . ?
C13 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C6 120.92(13) . . ?
C20 C19 C24 117.61(13) . . ?
C24 C19 C6 121.23(12) . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.80(15) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.79(15) . . ?
C22 C21 H21 119.6 . . ?
C21 C22 H22 120.4 . . ?
C21 C22 C23 119.15(14) . . ?
C23 C22 H22 120.4 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.48(16) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 H24 119.4 . . ?
C23 C24 C19 121.17(15) . . ?
C23 C24 H24 119.4 . . ?
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
Br C2 1.9604(13) . ?
P O1 1.4841(10) . ?
P C1 1.8254(14) . ?
P C3 1.8290(14) . ?
P C6 1.8809(14) . ?
O2 C4 1.206(2) . ?
O3 C4 1.3375(19) . ?
O3 C5 1.446(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.5195(19) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.5043(19) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.5468(18) . ?
C6 C13 1.5443(18) . ?
C6 C19 1.5391(19) . ?
C7 C8 1.4029(19) . ?
C7 C12 1.3943(19) . ?
C8 H8 0.9500 . ?
C8 C9 1.386(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.397(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.4024(19) . ?
C13 C18 1.3949(19) . ?
C14 H14 0.9500 . ?
C14 C15 1.3922(19) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.384(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.3951(19) . ?
C18 H18 0.9500 . ?
C19 C20 1.397(2) . ?
C19 C24 1.407(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.399(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.381(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.388(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(2) . ?
C24 H24 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
P C1 C2 Br -155.74(7) . . . . ?
P C3 C4 O2 80.98(16) . . . . ?
P C3 C4 O3 -98.52(12) . . . . ?
P C6 C7 C8 -171.04(10) . . . . ?
P C6 C7 C12 8.54(17) . . . . ?
P C6 C13 C14 54.00(14) . . . . ?
P C6 C13 C18 -130.64(12) . . . . ?
P C6 C19 C20 -104.00(13) . . . . ?
P C6 C19 C24 70.21(14) . . . . ?
O1 P C1 C2 56.63(11) . . . . ?
O1 P C3 C4 35.97(12) . . . . ?
O1 P C6 C7 43.16(11) . . . . ?
O1 P C6 C13 -72.23(10) . . . . ?
O1 P C6 C19 164.26(8) . . . . ?
C1 P C3 C4 -82.26(11) . . . . ?
C1 P C6 C7 168.33(9) . . . . ?
C1 P C6 C13 52.94(10) . . . . ?
C1 P C6 C19 -70.57(10) . . . . ?
C3 P C1 C2 176.64(10) . . . . ?
C3 P C6 C7 -80.02(10) . . . . ?
C3 P C6 C13 164.60(9) . . . . ?
C3 P C6 C19 41.08(10) . . . . ?
C5 O3 C4 O2 1.3(2) . . . . ?
C5 O3 C4 C3 -179.18(13) . . . . ?
C6 P C1 C2 -71.50(11) . . . . ?
C6 P C3 C4 160.93(10) . . . . ?
C6 C7 C8 C9 179.40(13) . . . . ?
C6 C7 C12 C11 -179.32(13) . . . . ?
C6 C13 C14 C15 178.55(12) . . . . ?
C6 C13 C18 C17 -177.91(13) . . . . ?
C6 C19 C20 C21 174.08(13) . . . . ?
C6 C19 C24 C23 -173.97(13) . . . . ?
C7 C6 C13 C14 -64.98(15) . . . . ?
C7 C6 C13 C18 110.38(14) . . . . ?
C7 C6 C19 C20 17.07(17) . . . . ?
C7 C6 C19 C24 -168.72(12) . . . . ?
C7 C8 C9 C10 0.2(2) . . . . ?
C8 C7 C12 C11 0.3(2) . . . . ?
C8 C9 C10 C11 -0.3(2) . . . . ?
C9 C10 C11 C12 0.3(2) . . . . ?
C10 C11 C12 C7 -0.3(2) . . . . ?
C12 C7 C8 C9 -0.2(2) . . . . ?
C13 C6 C7 C8 -54.41(15) . . . . ?
C13 C6 C7 C12 125.17(14) . . . . ?
C13 C6 C19 C20 137.12(13) . . . . ?
C13 C6 C19 C24 -48.66(17) . . . . ?
C13 C14 C15 C16 -1.3(2) . . . . ?
C14 C13 C18 C17 -2.5(2) . . . . ?
C14 C15 C16 C17 -0.8(2) . . . . ?
C15 C16 C17 C18 1.3(2) . . . . ?
C16 C17 C18 C13 0.4(2) . . . . ?
C18 C13 C14 C15 3.0(2) . . . . ?
C19 C6 C7 C8 70.96(15) . . . . ?
C19 C6 C7 C12 -109.46(15) . . . . ?
C19 C6 C13 C14 171.94(12) . . . . ?
C19 C6 C13 C18 -12.69(18) . . . . ?
C19 C20 C21 C22 -0.1(2) . . . . ?
C20 C19 C24 C23 0.4(2) . . . . ?
C20 C21 C22 C23 0.5(2) . . . . ?
C21 C22 C23 C24 -0.4(2) . . . . ?
C22 C23 C24 C19 -0.1(2) . . . . ?
C24 C19 C20 C21 -0.3(2) . . . . ?
