#------------------------------------------------------------------------------
#$Date: 2020-09-06 11:32:50 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256008 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/67/7126777.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_7126777
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      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 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                90
_cell_angle_beta                 104.521(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1976(4)
_cell_length_b                   18.0312(7)
_cell_length_c                   15.7056(7)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      27.3596
_cell_measurement_theta_min      2.5666
_cell_volume                     2247.33(17)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0637
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41145
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.26
_diffrn_source                   'Mo ImS'
_diffrn_source_type              'micro focus tube'
_exptl_absorpt_coefficient_mu    0.134
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.94
_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    1.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.202
_exptl_crystal_size_mid          0.174
_exptl_crystal_size_min          0.118
_refine_diff_density_max         0.365
_refine_diff_density_min         -0.282
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         5143
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0430
_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)+(0.0434P)²+1.9041P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1087
_reflns_number_gt                4479
_reflns_number_total             5143
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc01255f2.cif
_cod_data_source_block           erk9555
_cod_depositor_comments
'Adding full bibliography for 7126774--7126779.cif.'
_cod_database_code               7126777
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.45167(5) 0.31712(2) 0.68715(3) 0.01336(10) Uani d . . . 1 . .
C C1 0.3052(2) 0.24071(8) 0.63846(10) 0.0188(3) Uani d . . . 1 . .
H H1A 0.1921 0.2482 0.6488 0.023 Uiso calc U . R 1 . .
H H1B 0.2945 0.2359 0.5745 0.023 Uiso calc U . R 1 . .
C C2 0.3922(2) 0.17449(8) 0.68794(11) 0.0198(3) Uani d . . . 1 . .
H H2 0.3773 0.1258 0.6643 0.024 Uiso calc U . R 1 . .
C C3 0.4922(2) 0.18895(8) 0.76780(10) 0.0186(3) Uani d . . . 1 . .
H H3 0.5544 0.1513 0.8043 0.022 Uiso calc U . R 1 . .
C C4 0.4989(2) 0.26905(8) 0.79546(10) 0.0175(3) Uani d . . . 1 . .
H H4A 0.6117 0.2826 0.8321 0.021 Uiso calc U . R 1 . .
H H4B 0.413 0.2803 0.8281 0.021 Uiso calc U . R 1 . .
C C11 0.32193(17) 0.39915(7) 0.69611(9) 0.0117(3) Uani d . . . 1 . .
C C12 0.18545(18) 0.42090(8) 0.62553(9) 0.0132(3) Uani d . . . 1 . .
C C13 0.10002(19) 0.48693(8) 0.63070(10) 0.0170(3) Uani d . . . 1 . .
H H13 0.0073 0.5005 0.5836 0.02 Uiso calc U . R 1 . .
C C14 0.1478(2) 0.53322(8) 0.70324(10) 0.0189(3) Uani d . . . 1 . .
H H14 0.0881 0.5779 0.7061 0.023 Uiso calc U . R 1 . .
C C15 0.28313(19) 0.51345(8) 0.77131(10) 0.0167(3) Uani d . . . 1 . .
H H15 0.3165 0.5453 0.8208 0.02 Uiso calc U . R 1 . .
C C16 0.37213(18) 0.44768(8) 0.76895(9) 0.0129(3) Uani d . . . 1 . .
C C21 0.12951(18) 0.37612(8) 0.54264(9) 0.0129(3) Uani d . . . 1 . .
C C22 0.22589(18) 0.37592(8) 0.48037(10) 0.0144(3) Uani d . . . 1 . .
C C23 0.17349(19) 0.33277(8) 0.40453(10) 0.0157(3) Uani d . . . 1 . .
H H23 0.2396 0.3325 0.3627 0.019 Uiso calc U . R 1 . .
C C24 0.02752(19) 0.29031(8) 0.38849(10) 0.0160(3) Uani d . . . 1 . .
C C25 -0.06953(18) 0.29338(8) 0.44971(10) 0.0157(3) Uani d . . . 1 . .
H H25 -0.171 0.2655 0.4392 0.019 Uiso calc U . R 1 . .
C C26 -0.02235(18) 0.33603(8) 0.52572(9) 0.0140(3) Uani d . . . 1 . .
C C27 0.3812(2) 0.42357(9) 0.49156(11) 0.0209(3) Uani d . . . 1 . .
H H27A 0.4706 0.4043 0.5402 0.031 Uiso calc U . R 1 . .
H H27B 0.3544 0.4746 0.5046 0.031 Uiso calc U . R 1 . .
H H27C 0.4193 0.4227 0.4372 0.031 Uiso calc U . R 1 . .
C C28 -0.0280(2) 0.24504(9) 0.30565(11) 0.0223(3) Uani d . . . 1 . .
H H28A -0.1162 0.2718 0.2631 0.033 Uiso calc U . R 1 . .
H H28B -0.0724 0.1973 0.3195 0.033 Uiso calc U . R 1 . .
H H28C 0.0684 0.2365 0.2805 0.033 Uiso calc U . R 1 . .
C C29 -0.13575(19) 0.33839(9) 0.58788(10) 0.0195(3) Uani d . . . 1 . .
H H29A -0.2024 0.3841 0.5782 0.029 Uiso calc U . R 1 . .
H H29B -0.067 0.3371 0.6487 0.029 Uiso calc U . R 1 . .
H H29C -0.2115 0.2955 0.5772 0.029 Uiso calc U . R 1 . .
C C31 0.51880(18) 0.43251(8) 0.84562(9) 0.0128(3) Uani d . . . 1 . .
C C32 0.68495(19) 0.44436(8) 0.83887(10) 0.0155(3) Uani d . . . 1 . .
C C33 0.81860(19) 0.42897(8) 0.91117(11) 0.0183(3) Uani d . . . 1 . .
H H33 0.9306 0.4372 0.9066 0.022 Uiso calc U . R 1 . .
C C34 0.79299(19) 0.40192(8) 0.98999(10) 0.0185(3) Uani d . . . 1 . .
C C35 0.6275(2) 0.39192(8) 0.99578(10) 0.0169(3) Uani d . . . 1 . .
H H35 0.6077 0.3737 1.049 0.02 Uiso calc U . R 1 . .
C C36 0.49038(18) 0.40795(8) 0.92566(10) 0.0145(3) Uani d . . . 1 . .
C C37 0.7210(2) 0.47358(9) 0.75525(11) 0.0210(3) Uani d . . . 1 . .
H H37A 0.8408 0.4861 0.7662 0.031 Uiso calc U . R 1 . .
H H37B 0.653 0.518 0.736 0.031 Uiso calc U . R 1 . .
H H37C 0.6925 0.4355 0.7093 0.031 Uiso calc U . R 1 . .
C C38 0.9395(2) 0.38449(10) 1.06702(12) 0.0271(4) Uani d . . . 1 . .
H H38A 0.9586 0.4262 1.1083 0.041 Uiso calc U . R 1 . .
H H38B 1.0409 0.3761 1.046 0.041 Uiso calc U . R 1 . .
H H38C 0.9143 0.3398 1.0968 0.041 Uiso calc U . R 1 . .
C C39 0.31405(19) 0.39751(9) 0.93698(10) 0.0191(3) Uani d . . . 1 . .
H H39A 0.316 0.3608 0.9833 0.029 Uiso calc U . R 1 . .
H H39B 0.24 0.3801 0.8816 0.029 Uiso calc U . R 1 . .
H H39C 0.2719 0.4449 0.9535 0.029 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
C11 P1 C1 . . 107.43(7) ?
C11 P1 C4 . . 107.16(7) ?
C1 P1 C4 . . 89.75(7) ?
C2 C1 P1 . . 101.67(10) ?
C2 C1 H1A . . 111.4 ?
P1 C1 H1A . . 111.4 ?
C2 C1 H1B . . 111.4 ?
P1 C1 H1B . . 111.4 ?
H1A C1 H1B . . 109.3 ?
C3 C2 C1 . . 115.37(13) ?
C3 C2 H2 . . 122.3 ?
C1 C2 H2 . . 122.3 ?
C2 C3 C4 . . 115.22(13) ?
C2 C3 H3 . . 122.4 ?
C4 C3 H3 . . 122.4 ?
C3 C4 P1 . . 101.48(10) ?
C3 C4 H4A . . 111.5 ?
P1 C4 H4A . . 111.5 ?
C3 C4 H4B . . 111.5 ?
P1 C4 H4B . . 111.5 ?
H4A C4 H4B . . 109.3 ?
C16 C11 C12 . . 118.20(12) ?
C16 C11 P1 . . 119.98(10) ?
C12 C11 P1 . . 121.21(11) ?
C13 C12 C11 . . 120.00(13) ?
C13 C12 C21 . . 117.43(13) ?
C11 C12 C21 . . 122.55(12) ?
C14 C13 C12 . . 121.28(14) ?
C14 C13 H13 . . 119.4 ?
C12 C13 H13 . . 119.4 ?
C15 C14 C13 . . 119.15(14) ?
C15 C14 H14 . . 120.4 ?
C13 C14 H14 . . 120.4 ?
C14 C15 C16 . . 121.47(14) ?
C14 C15 H15 . . 119.3 ?
C16 C15 H15 . . 119.3 ?
C15 C16 C11 . . 119.84(13) ?
C15 C16 C31 . . 116.92(13) ?
C11 C16 C31 . . 123.25(12) ?
C22 C21 C26 . . 119.58(13) ?
C22 C21 C12 . . 120.16(13) ?
C26 C21 C12 . . 120.23(13) ?
C23 C22 C21 . . 119.29(13) ?
C23 C22 C27 . . 119.11(14) ?
C21 C22 C27 . . 121.56(13) ?
C24 C23 C22 . . 121.88(14) ?
C24 C23 H23 . . 119.1 ?
C22 C23 H23 . . 119.1 ?
C23 C24 C25 . . 117.88(14) ?
C23 C24 C28 . . 121.01(14) ?
C25 C24 C28 . . 121.06(14) ?
C26 C25 C24 . . 121.99(14) ?
C26 C25 H25 . . 119.0 ?
C24 C25 H25 . . 119.0 ?
C25 C26 C21 . . 119.27(14) ?
C25 C26 C29 . . 119.16(13) ?
C21 C26 C29 . . 121.56(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 ?
C36 C31 C32 . . 119.67(13) ?
C36 C31 C16 . . 119.77(13) ?
C32 C31 C16 . . 120.54(13) ?
C33 C32 C31 . . 119.07(14) ?
C33 C32 C37 . . 119.49(14) ?
C31 C32 C37 . . 121.43(13) ?
C32 C33 C34 . . 122.02(14) ?
C32 C33 H33 . . 119.0 ?
C34 C33 H33 . . 119.0 ?
C35 C34 C33 . . 117.95(14) ?
C35 C34 C38 . . 120.86(15) ?
C33 C34 C38 . . 121.19(15) ?
C36 C35 C34 . . 121.83(15) ?
C36 C35 H35 . . 119.1 ?
C34 C35 H35 . . 119.1 ?
C35 C36 C31 . . 119.38(14) ?
C35 C36 C39 . . 119.15(14) ?
C31 C36 C39 . . 121.46(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 C11 . 1.8476(14) ?
P1 C1 . 1.8611(16) ?
P1 C4 . 1.8613(16) ?
C1 C2 . 1.503(2) ?
C1 H1A . 0.99 ?
C1 H1B . 0.99 ?
C2 C3 . 1.341(2) ?
C2 H2 . 0.95 ?
C3 C4 . 1.505(2) ?
C3 H3 . 0.95 ?
C4 H4A . 0.99 ?
C4 H4B . 0.99 ?
C11 C16 . 1.4171(19) ?
C11 C12 . 1.4185(19) ?
C12 C13 . 1.394(2) ?
C12 C21 . 1.5026(19) ?
C13 C14 . 1.387(2) ?
C13 H13 . 0.95 ?
C14 C15 . 1.381(2) ?
C14 H14 . 0.95 ?
C15 C16 . 1.398(2) ?
C15 H15 . 0.95 ?
C16 C31 . 1.4981(19) ?
C21 C22 . 1.403(2) ?
C21 C26 . 1.406(2) ?
C22 C23 . 1.397(2) ?
C22 C27 . 1.509(2) ?
C23 C24 . 1.389(2) ?
C23 H23 . 0.95 ?
C24 C25 . 1.394(2) ?
C24 C28 . 1.507(2) ?
C25 C26 . 1.391(2) ?
C25 H25 . 0.95 ?
C26 C29 . 1.508(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 C36 . 1.406(2) ?
C31 C32 . 1.409(2) ?
C32 C33 . 1.394(2) ?
C32 C37 . 1.511(2) ?
C33 C34 . 1.395(2) ?
C33 H33 . 0.95 ?
C34 C35 . 1.394(2) ?
C34 C38 . 1.509(2) ?
C35 C36 . 1.392(2) ?
C35 H35 . 0.95 ?
C36 C39 . 1.512(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
C11 P1 C1 C2 . . . . -142.70(10) ?
C4 P1 C1 C2 . . . . -34.77(11) ?
P1 C1 C2 C3 . . . . 26.01(17) ?
C1 C2 C3 C4 . . . . 0.9(2) ?
C2 C3 C4 P1 . . . . -27.38(17) ?
C11 P1 C4 C3 . . . . 143.37(10) ?
C1 P1 C4 C3 . . . . 35.17(11) ?
C1 P1 C11 C16 . . . . 143.70(12) ?
C4 P1 C11 C16 . . . . 48.42(13) ?
C1 P1 C11 C12 . . . . -45.43(13) ?
C4 P1 C11 C12 . . . . -140.71(12) ?
C16 C11 C12 C13 . . . . -2.7(2) ?
P1 C11 C12 C13 . . . . -173.76(11) ?
C16 C11 C12 C21 . . . . 175.82(13) ?
P1 C11 C12 C21 . . . . 4.79(19) ?
C11 C12 C13 C14 . . . . 1.3(2) ?
C21 C12 C13 C14 . . . . -177.31(14) ?
C12 C13 C14 C15 . . . . 0.3(2) ?
C13 C14 C15 C16 . . . . -0.5(2) ?
C14 C15 C16 C11 . . . . -1.0(2) ?
C14 C15 C16 C31 . . . . 178.89(14) ?
C12 C11 C16 C15 . . . . 2.6(2) ?
P1 C11 C16 C15 . . . . 173.73(11) ?
C12 C11 C16 C31 . . . . -177.32(13) ?
P1 C11 C16 C31 . . . . -6.18(19) ?
C13 C12 C21 C22 . . . . 104.36(16) ?
C11 C12 C21 C22 . . . . -74.23(18) ?
C13 C12 C21 C26 . . . . -73.66(18) ?
C11 C12 C21 C26 . . . . 107.76(16) ?
C26 C21 C22 C23 . . . . -3.2(2) ?
C12 C21 C22 C23 . . . . 178.74(13) ?
C26 C21 C22 C27 . . . . 174.29(13) ?
C12 C21 C22 C27 . . . . -3.7(2) ?
C21 C22 C23 C24 . . . . 0.5(2) ?
C27 C22 C23 C24 . . . . -177.07(14) ?
C22 C23 C24 C25 . . . . 1.7(2) ?
C22 C23 C24 C28 . . . . 179.11(14) ?
C23 C24 C25 C26 . . . . -1.3(2) ?
C28 C24 C25 C26 . . . . -178.65(14) ?
C24 C25 C26 C21 . . . . -1.4(2) ?
C24 C25 C26 C29 . . . . 178.36(14) ?
C22 C21 C26 C25 . . . . 3.7(2) ?
C12 C21 C26 C25 . . . . -178.31(13) ?
C22 C21 C26 C29 . . . . -176.10(13) ?
C12 C21 C26 C29 . . . . 1.9(2) ?
C15 C16 C31 C36 . . . . 76.11(18) ?
C11 C16 C31 C36 . . . . -103.98(17) ?
C15 C16 C31 C32 . . . . -102.35(16) ?
C11 C16 C31 C32 . . . . 77.56(19) ?
C36 C31 C32 C33 . . . . 2.2(2) ?
C16 C31 C32 C33 . . . . -179.36(13) ?
C36 C31 C32 C37 . . . . -177.58(13) ?
C16 C31 C32 C37 . . . . 0.9(2) ?
C31 C32 C33 C34 . . . . 0.3(2) ?
C37 C32 C33 C34 . . . . -179.99(14) ?
C32 C33 C34 C35 . . . . -1.4(2) ?
C32 C33 C34 C38 . . . . 179.04(14) ?
C33 C34 C35 C36 . . . . 0.2(2) ?
C38 C34 C35 C36 . . . . 179.71(14) ?
C34 C35 C36 C31 . . . . 2.2(2) ?
C34 C35 C36 C39 . . . . -178.62(14) ?
C32 C31 C36 C35 . . . . -3.4(2) ?
C16 C31 C36 C35 . . . . 178.14(13) ?
C32 C31 C36 C39 . . . . 177.48(13) ?
C16 C31 C36 C39 . . . . -1.0(2) ?
