#------------------------------------------------------------------------------
#$Date: 2020-09-06 11:32:50 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256008 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/67/7126774.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_7126774
loop_
_publ_author_name
'Chen, Chaohuang'
'Daniliuc, Constantin G.'
'Mück-Lichtenfeld, Christian'
'Kehr, Gerald'
'Erker, Gerhard'
_publ_section_title
;
 A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an
 unusually structured frustrated Lewis pair.
;
_journal_issue                   62
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8806
_journal_page_last               8809
_journal_paper_doi               10.1039/d0cc01255f
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C28 H31 P'
_chemical_formula_weight         398.50
_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_method           'APEX3 v2016.1-0'
_audit_update_record
;
2019-09-12 deposited with the CCDC.	2020-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                94.492(2)
_cell_angle_beta                 96.6290(10)
_cell_angle_gamma                110.7610(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0785(3)
_cell_length_b                   10.6049(4)
_cell_length_c                   13.1636(5)
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      27.4505
_cell_measurement_theta_min      2.5482
_cell_volume                     1167.39(7)
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_data_collection
;

APEX3 v2016.1-0 (Bruker AXS Inc., 2016)
;
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'XP (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'MX mirror'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_unetI/netI     0.0347
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21644
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.55
_diffrn_source                   'Mo ImS'
_diffrn_source_type              'micro focus tube'
_exptl_absorpt_coefficient_mu    0.129
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Bruker AXS (2014). SADABS, Version 2014/5, Bruker AXS Inc., Madison, Wisconsin,
USA.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.267
_exptl_crystal_size_mid          0.266
_exptl_crystal_size_min          0.162
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.280
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         5318
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0440
_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)+(0.0425P)²+0.7889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1103
_reflns_number_gt                4688
_reflns_number_total             5318
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc01255f2.cif
_cod_data_source_block           erk9523
_cod_depositor_comments
'Adding full bibliography for 7126774--7126779.cif.'
_cod_database_code               7126774
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P P1 0.58747(4) 0.34791(4) 0.72855(3) 0.01550(10) Uani d . . . 1 . .
C C1 0.50144(17) 0.45662(15) 0.66365(12) 0.0182(3) Uani d . . . 1 . .
H H1 0.4416 0.4266 0.5964 0.022 Uiso calc U . R 1 . .
C C2 0.5231(2) 0.57815(17) 0.71116(14) 0.0276(4) Uani d . . . 1 . .
H H2A 0.5831 0.6077 0.7784 0.033 Uiso calc U . R 1 . .
H H2B 0.4787 0.6358 0.678 0.033 Uiso calc U . R 1 . .
C C3 0.64291(18) 0.26521(16) 0.62174(13) 0.0218(3) Uani d . . . 1 . .
H H3 0.6542 0.181 0.631 0.026 Uiso calc U . R 1 . .
C C4 0.6694(2) 0.31053(18) 0.53188(13) 0.0262(3) Uani d . . . 1 . .
H H4A 0.6597 0.3943 0.5188 0.031 Uiso calc U . R 1 . .
H H4B 0.698 0.2592 0.4806 0.031 Uiso calc U . R 1 . .
C C11 0.42003(17) 0.20459(14) 0.76296(11) 0.0142(3) Uani d . . . 1 . .
C C12 0.46109(17) 0.14305(14) 0.84789(11) 0.0157(3) Uani d . . . 1 . .
C C13 0.34359(18) 0.03871(15) 0.88400(12) 0.0196(3) Uani d . . . 1 . .
H H13 0.3722 -0.0026 0.9407 0.024 Uiso calc U . R 1 . .
C C14 0.18599(19) -0.00513(16) 0.83808(13) 0.0235(3) Uani d . . . 1 . .
H H14 0.1063 -0.0746 0.8641 0.028 Uiso calc U . R 1 . .
C C15 0.14521(18) 0.05291(16) 0.75388(12) 0.0201(3) Uani d . . . 1 . .
H H15 0.037 0.0221 0.7222 0.024 Uiso calc U . R 1 . .
C C16 0.25991(17) 0.15567(14) 0.71470(11) 0.0155(3) Uani d . . . 1 . .
C C21 0.63035(17) 0.18382(15) 0.89962(11) 0.0158(3) Uani d . . . 1 . .
C C22 0.72114(19) 0.10703(16) 0.87266(11) 0.0201(3) Uani d . . . 1 . .
C C23 0.87879(19) 0.14765(18) 0.92063(13) 0.0249(3) Uani d . . . 1 . .
H H23 0.9409 0.0964 0.902 0.03 Uiso calc U . R 1 . .
C C24 0.94782(18) 0.26083(18) 0.99491(13) 0.0253(4) Uani d . . . 1 . .
C C25 0.85394(19) 0.33212(17) 1.02366(12) 0.0232(3) Uani d . . . 1 . .
H H25 0.8985 0.4081 1.0759 0.028 Uiso calc U . R 1 . .
C C26 0.69570(18) 0.29481(15) 0.97767(11) 0.0187(3) Uani d . . . 1 . .
C C27 0.6497(2) -0.02080(19) 0.79595(13) 0.0303(4) Uani d . . . 1 . .
H H27A 0.5789 -0.0941 0.8283 0.045 Uiso calc U . R 1 . .
H H27B 0.7353 -0.0474 0.7741 0.045 Uiso calc U . R 1 . .
H H27C 0.5888 -0.0036 0.7358 0.045 Uiso calc U . R 1 . .
C C28 1.1200(2) 0.3030(2) 1.04419(16) 0.0370(5) Uani d . . . 1 . .
H H28A 1.154 0.3926 1.085 0.056 Uiso calc U . R 1 . .
H H28B 1.187 0.3074 0.9903 0.056 Uiso calc U . R 1 . .
H H28C 1.1304 0.2363 1.0892 0.056 Uiso calc U . R 1 . .
C C29 0.5955(2) 0.37310(17) 1.01094(13) 0.0250(3) Uani d . . . 1 . .
H H29A 0.5666 0.4175 0.9534 0.037 Uiso calc U . R 1 . .
H H29B 0.6564 0.4421 1.0694 0.037 Uiso calc U . R 1 . .
H H29C 0.4984 0.3105 1.0316 0.037 Uiso calc U . R 1 . .
C C31 0.20386(16) 0.20454(14) 0.61935(11) 0.0149(3) Uani d . . . 1 . .
C C32 0.21917(17) 0.14952(14) 0.52257(11) 0.0171(3) Uani d . . . 1 . .
C C33 0.17027(18) 0.19880(15) 0.43487(11) 0.0186(3) Uani d . . . 1 . .
H H33 0.1862 0.1655 0.3696 0.022 Uiso calc U . R 1 . .
C C34 0.09907(17) 0.29498(15) 0.43974(11) 0.0186(3) Uani d . . . 1 . .
C C35 0.07878(17) 0.34362(15) 0.53643(12) 0.0182(3) Uani d . . . 1 . .
H H35 0.0284 0.4081 0.5411 0.022 Uiso calc U . R 1 . .
C C36 0.13013(17) 0.30064(15) 0.62632(11) 0.0162(3) Uani d . . . 1 . .
C C37 0.27791(19) 0.03319(16) 0.51027(12) 0.0222(3) Uani d . . . 1 . .
H H37A 0.1865 -0.0531 0.4959 0.033 Uiso calc U . R 1 . .
H H37B 0.3458 0.0338 0.574 0.033 Uiso calc U . R 1 . .
H H37C 0.3395 0.0435 0.453 0.033 Uiso calc U . R 1 . .
C C38 0.0424(2) 0.34260(17) 0.34294(12) 0.0248(3) Uani d . . . 1 . .
H H38A 0.1062 0.4389 0.3426 0.037 Uiso calc U . R 1 . .
H H38B -0.07 0.3309 0.3409 0.037 Uiso calc U . R 1 . .
H H38C 0.0541 0.289 0.2824 0.037 Uiso calc U . R 1 . .
C C39 0.1076(2) 0.35838(17) 0.72919(12) 0.0225(3) Uani d . . . 1 . .
H H39A 0.0719 0.4344 0.72 0.034 Uiso calc U . R 1 . .
H H39B 0.2089 0.3907 0.7764 0.034 Uiso calc U . R 1 . .
H H39C 0.0273 0.2876 0.7581 0.034 Uiso calc U . R 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C3 P1 C1 . . 101.56(7) ?
C3 P1 C11 . . 101.64(7) ?
C1 P1 C11 . . 107.27(7) ?
C2 C1 P1 . . 119.31(12) ?
C2 C1 H1 . . 120.3 ?
P1 C1 H1 . . 120.3 ?
C1 C2 H2A . . 120.0 ?
C1 C2 H2B . . 120.0 ?
H2A C2 H2B . . 120.0 ?
C4 C3 P1 . . 126.53(13) ?
C4 C3 H3 . . 116.7 ?
P1 C3 H3 . . 116.7 ?
C3 C4 H4A . . 120.0 ?
C3 C4 H4B . . 120.0 ?
H4A C4 H4B . . 120.0 ?
C16 C11 C12 . . 118.53(13) ?
C16 C11 P1 . . 126.41(10) ?
C12 C11 P1 . . 115.04(10) ?
C13 C12 C11 . . 120.16(13) ?
C13 C12 C21 . . 118.03(13) ?
C11 C12 C21 . . 121.78(12) ?
C14 C13 C12 . . 120.67(14) ?
C14 C13 H13 . . 119.7 ?
C12 C13 H13 . . 119.7 ?
C13 C14 C15 . . 119.54(14) ?
C13 C14 H14 . . 120.2 ?
C15 C14 H14 . . 120.2 ?
C14 C15 C16 . . 121.29(14) ?
C14 C15 H15 . . 119.4 ?
C16 C15 H15 . . 119.4 ?
C15 C16 C11 . . 119.74(13) ?
C15 C16 C31 . . 116.62(13) ?
C11 C16 C31 . . 123.60(12) ?
C22 C21 C26 . . 119.94(14) ?
C22 C21 C12 . . 119.72(13) ?
C26 C21 C12 . . 120.28(13) ?
C23 C22 C21 . . 118.83(15) ?
C23 C22 C27 . . 119.77(14) ?
C21 C22 C27 . . 121.36(14) ?
C24 C23 C22 . . 122.01(15) ?
C24 C23 H23 . . 119.0 ?
C22 C23 H23 . . 119.0 ?
C25 C24 C23 . . 118.26(14) ?
C25 C24 C28 . . 121.22(17) ?
C23 C24 C28 . . 120.51(16) ?
C24 C25 C26 . . 121.52(15) ?
C24 C25 H25 . . 119.2 ?
C26 C25 H25 . . 119.2 ?
C25 C26 C21 . . 119.32(14) ?
C25 C26 C29 . . 120.55(14) ?
C21 C26 C29 . . 120.13(13) ?
C22 C27 H27A . . 109.5 ?
C22 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C22 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C24 C28 H28A . . 109.5 ?
C24 C28 H28B . . 109.5 ?
H28A C28 H28B . . 109.5 ?
C24 C28 H28C . . 109.5 ?
H28A C28 H28C . . 109.5 ?
H28B C28 H28C . . 109.5 ?
C26 C29 H29A . . 109.5 ?
C26 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C26 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
C32 C31 C36 . . 120.05(13) ?
C32 C31 C16 . . 119.52(13) ?
C36 C31 C16 . . 120.37(13) ?
C33 C32 C31 . . 118.73(13) ?
C33 C32 C37 . . 119.22(13) ?
C31 C32 C37 . . 121.95(13) ?
C34 C33 C32 . . 122.24(14) ?
C34 C33 H33 . . 118.9 ?
C32 C33 H33 . . 118.9 ?
C33 C34 C35 . . 117.86(13) ?
C33 C34 C38 . . 120.90(14) ?
C35 C34 C38 . . 121.23(14) ?
C36 C35 C34 . . 121.95(14) ?
C36 C35 H35 . . 119.0 ?
C34 C35 H35 . . 119.0 ?
C35 C36 C31 . . 119.05(13) ?
C35 C36 C39 . . 119.75(13) ?
C31 C36 C39 . . 121.20(13) ?
C32 C37 H37A . . 109.5 ?
C32 C37 H37B . . 109.5 ?
H37A C37 H37B . . 109.5 ?
C32 C37 H37C . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.5 ?
C34 C38 H38A . . 109.5 ?
C34 C38 H38B . . 109.5 ?
H38A C38 H38B . . 109.5 ?
C34 C38 H38C . . 109.5 ?
H38A C38 H38C . . 109.5 ?
H38B C38 H38C . . 109.5 ?
C36 C39 H39A . . 109.5 ?
C36 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C36 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
P1 C3 . 1.8118(16) ?
P1 C1 . 1.8186(15) ?
P1 C11 . 1.8587(14) ?
C1 C2 . 1.325(2) ?
C1 H1 . 0.95 ?
C2 H2A . 0.95 ?
C2 H2B . 0.95 ?
C3 C4 . 1.327(2) ?
C3 H3 . 0.95 ?
C4 H4A . 0.95 ?
C4 H4B . 0.95 ?
C11 C16 . 1.4095(19) ?
C11 C12 . 1.4160(19) ?
C12 C13 . 1.397(2) ?
C12 C21 . 1.5011(19) ?
C13 C14 . 1.383(2) ?
C13 H13 . 0.95 ?
C14 C15 . 1.385(2) ?
C14 H14 . 0.95 ?
C15 C16 . 1.395(2) ?
C15 H15 . 0.95 ?
C16 C31 . 1.4980(19) ?
C21 C22 . 1.402(2) ?
C21 C26 . 1.403(2) ?
C22 C23 . 1.394(2) ?
C22 C27 . 1.513(2) ?
C23 C24 . 1.390(3) ?
C23 H23 . 0.95 ?
C24 C25 . 1.388(2) ?
C24 C28 . 1.513(2) ?
C25 C26 . 1.395(2) ?
C25 H25 . 0.95 ?
C26 C29 . 1.510(2) ?
C27 H27A . 0.98 ?
C27 H27B . 0.98 ?
C27 H27C . 0.98 ?
C28 H28A . 0.98 ?
C28 H28B . 0.98 ?
C28 H28C . 0.98 ?
C29 H29A . 0.98 ?
C29 H29B . 0.98 ?
C29 H29C . 0.98 ?
C31 C32 . 1.402(2) ?
C31 C36 . 1.406(2) ?
C32 C33 . 1.394(2) ?
C32 C37 . 1.512(2) ?
C33 C34 . 1.389(2) ?
C33 H33 . 0.95 ?
C34 C35 . 1.392(2) ?
C34 C38 . 1.509(2) ?
C35 C36 . 1.390(2) ?
C35 H35 . 0.95 ?
C36 C39 . 1.508(2) ?
C37 H37A . 0.98 ?
C37 H37B . 0.98 ?
C37 H37C . 0.98 ?
C38 H38A . 0.98 ?
C38 H38B . 0.98 ?
C38 H38C . 0.98 ?
C39 H39A . 0.98 ?
C39 H39B . 0.98 ?
C39 H39C . 0.98 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C3 P1 C1 C2 . . . . -144.18(14) ?
C11 P1 C1 C2 . . . . 109.60(14) ?
C1 P1 C3 C4 . . . . 22.47(17) ?
C11 P1 C3 C4 . . . . 133.04(15) ?
C3 P1 C11 C16 . . . . -82.48(13) ?
C1 P1 C11 C16 . . . . 23.68(14) ?
C3 P1 C11 C12 . . . . 99.09(12) ?
C1 P1 C11 C12 . . . . -154.74(11) ?
C16 C11 C12 C13 . . . . -1.7(2) ?
P1 C11 C12 C13 . . . . 176.87(11) ?
C16 C11 C12 C21 . . . . 176.45(13) ?
P1 C11 C12 C21 . . . . -4.99(18) ?
C11 C12 C13 C14 . . . . -0.5(2) ?
C21 C12 C13 C14 . . . . -178.70(14) ?
C12 C13 C14 C15 . . . . 1.6(2) ?
C13 C14 C15 C16 . . . . -0.5(2) ?
C14 C15 C16 C11 . . . . -1.8(2) ?
C14 C15 C16 C31 . . . . 176.16(14) ?
C12 C11 C16 C15 . . . . 2.8(2) ?
P1 C11 C16 C15 . . . . -175.59(11) ?
C12 C11 C16 C31 . . . . -174.98(13) ?
P1 C11 C16 C31 . . . . 6.6(2) ?
C13 C12 C21 C22 . . . . 80.97(18) ?
C11 C12 C21 C22 . . . . -97.20(17) ?
C13 C12 C21 C26 . . . . -96.37(17) ?
C11 C12 C21 C26 . . . . 85.45(18) ?
C26 C21 C22 C23 . . . . -3.5(2) ?
C12 C21 C22 C23 . . . . 179.16(13) ?
C26 C21 C22 C27 . . . . 174.30(14) ?
C12 C21 C22 C27 . . . . -3.1(2) ?
C21 C22 C23 C24 . . . . 0.7(2) ?
C27 C22 C23 C24 . . . . -177.14(15) ?
C22 C23 C24 C25 . . . . 2.0(2) ?
C22 C23 C24 C28 . . . . -179.12(14) ?
C23 C24 C25 C26 . . . . -1.9(2) ?
C28 C24 C25 C26 . . . . 179.22(15) ?
C24 C25 C26 C21 . . . . -0.8(2) ?
C24 C25 C26 C29 . . . . 179.41(14) ?
C22 C21 C26 C25 . . . . 3.6(2) ?
C12 C21 C26 C25 . . . . -179.08(13) ?
C22 C21 C26 C29 . . . . -176.68(14) ?
C12 C21 C26 C29 . . . . 0.7(2) ?
C15 C16 C31 C32 . . . . -95.38(17) ?
C11 C16 C31 C32 . . . . 82.44(18) ?
C15 C16 C31 C36 . . . . 81.90(17) ?
C11 C16 C31 C36 . . . . -100.27(17) ?
C36 C31 C32 C33 . . . . 4.4(2) ?
C16 C31 C32 C33 . . . . -178.31(13) ?
C36 C31 C32 C37 . . . . -171.97(13) ?
C16 C31 C32 C37 . . . . 5.3(2) ?
C31 C32 C33 C34 . . . . -3.6(2) ?
C37 C32 C33 C34 . . . . 172.87(14) ?
C32 C33 C34 C35 . . . . 0.8(2) ?
C32 C33 C34 C38 . . . . -177.86(14) ?
C33 C34 C35 C36 . . . . 1.3(2) ?
C38 C34 C35 C36 . . . . 179.91(14) ?
C34 C35 C36 C31 . . . . -0.4(2) ?
C34 C35 C36 C39 . . . . 178.99(14) ?
C32 C31 C36 C35 . . . . -2.5(2) ?
C16 C31 C36 C35 . . . . -179.73(13) ?
C32 C31 C36 C39 . . . . 178.15(13) ?
C16 C31 C36 C39 . . . . 0.9(2) ?
