#------------------------------------------------------------------------------
#$Date: 2022-08-06 15:03:00 +0300 (Sat, 06 Aug 2022) $
#$Revision: 277140 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/87/7158746.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_7158746
loop_
_publ_author_name
'Chen, Zhichao'
'Zheng, Xinran'
'Zhou, Shu-Feng'
'Cui, Xiuling'
_publ_section_title
;
 Visible light-induced selenylative spirocyclization of biaryl ynones
 toward the formation of selenated spiro[5.5]trienones.
;
_journal_issue                   29
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              5779
_journal_page_last               5783
_journal_paper_doi               10.1039/d2ob01006b
_journal_volume                  20
_journal_year                    2022
_chemical_formula_sum            'C29 H22 O2 Se'
_chemical_formula_weight         481.42
_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           SHELXL-2014/7
_audit_update_record
;
2022-02-11 deposited with the CCDC.	2022-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                107.731(8)
_cell_angle_beta                 109.770(8)
_cell_angle_gamma                93.109(7)
_cell_formula_units_Z            2
_cell_length_a                   9.6751(8)
_cell_length_b                   10.1384(10)
_cell_length_c                   13.4857(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1167.3(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8277
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.075
_diffrn_reflns_theta_max         67.075
_diffrn_reflns_theta_min         3.709
_exptl_absorpt_coefficient_mu    2.352
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.259
_refine_diff_density_min         -0.404
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4167
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0461P)²+0.1304P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1160
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3226
_reflns_number_total             4167
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ob01006b2.cif
_cod_data_source_block           202107208
_cod_depositor_comments
'Adding full bibliography for 7158745--7158746.cif.'
_cod_database_code               7158746
_shelx_shelxl_version_number     2014/7
_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   0.705
_shelx_estimated_absorpt_t_max   0.799
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
Se1 Se 0.79678(5) 0.08785(5) 0.99367(3) 0.06260(16) Uani 1 1 d . . . . .
O1 O 0.4604(3) 0.0184(2) 0.8490(2) 0.0670(7) Uani 1 1 d . . . . .
O2 O 0.5781(5) 0.6444(3) 1.4492(2) 0.1073(12) Uani 1 1 d . . . . .
C1 C 0.2273(4) 0.1660(4) 0.8556(3) 0.0567(9) Uani 1 1 d . . . . .
H1 H 0.2150 0.0976 0.7877 0.068 Uiso 1 1 calc R U . . .
C2 C 0.1092(4) 0.2279(4) 0.8679(3) 0.0682(10) Uani 1 1 d . . . . .
H2 H 0.0177 0.2035 0.8083 0.082 Uiso 1 1 calc R U . . .
C3 C 0.1272(5) 0.3273(5) 0.9700(4) 0.0729(11) Uani 1 1 d . . . . .
H3 H 0.0463 0.3668 0.9800 0.087 Uiso 1 1 calc R U . . .
C4 C 0.2637(4) 0.3679(4) 1.0567(3) 0.0651(10) Uani 1 1 d . . . . .
H4 H 0.2746 0.4364 1.1243 0.078 Uiso 1 1 calc R U . . .
C5 C 0.3866(4) 0.3080(3) 1.0449(3) 0.0470(7) Uani 1 1 d . . . . .
C6 C 0.3659(4) 0.2043(3) 0.9437(3) 0.0457(7) Uani 1 1 d . . . . .
C7 C 0.4867(4) 0.1250(3) 0.9294(3) 0.0495(8) Uani 1 1 d . . . . .
C8 C 0.6375(4) 0.1811(3) 1.0174(3) 0.0447(7) Uani 1 1 d . . . . .
C9 C 0.6621(4) 0.2835(3) 1.1150(3) 0.0461(7) Uani 1 1 d . . . . .
C10 C 0.5365(4) 0.3534(3) 1.1430(3) 0.0470(7) Uani 1 1 d . . . . .
C11 C 0.5817(4) 0.5101(3) 1.1756(3) 0.0550(8) Uani 1 1 d . . . . .
H11 H 0.6015 0.5443 1.1242 0.066 Uiso 1 1 calc R U . . .
C12 C 0.5946(4) 0.6010(4) 1.2735(3) 0.0627(9) Uani 1 1 d . . . . .
H12 H 0.6220 0.6963 1.2879 0.075 Uiso 1 1 calc R U . . .
C13 C 0.5677(5) 0.5579(4) 1.3599(3) 0.0663(10) Uani 1 1 d . . . . .
C14 C 0.5260(4) 0.4069(4) 1.3338(3) 0.0590(9) Uani 1 1 d . . . . .
H14 H 0.5074 0.3757 1.3870 0.071 Uiso 1 1 calc R U . . .
C15 C 0.5139(4) 0.3137(4) 1.2370(3) 0.0509(8) Uani 1 1 d . . . . .
H15 H 0.4903 0.2188 1.2258 0.061 Uiso 1 1 calc R U . . .
C16 C 0.8135(4) 0.3362(4) 1.2043(3) 0.0542(8) Uani 1 1 d . . . . .
C17 C 0.8616(5) 0.2866(5) 1.2914(3) 0.0774(12) Uani 1 1 d . . . . .
H17 H 0.7987 0.2178 1.2958 0.093 Uiso 1 1 calc R U . . .
C18 C 1.0041(6) 0.3385(7) 1.3736(4) 0.1072(18) Uani 1 1 d . . . . .
H18 H 1.0351 0.3053 1.4333 0.129 Uiso 1 1 calc R U . . .
C19 C 1.0979(6) 0.4369(7) 1.3672(5) 0.1113(19) Uani 1 1 d . . . . .
H19 H 1.1936 0.4697 1.4216 0.134 Uiso 1 1 calc R U . . .
C20 C 1.0522(6) 0.4876(6) 1.2812(5) 0.1147(19) Uani 1 1 d . . . . .
H20 H 1.1162 0.5561 1.2775 0.138 Uiso 1 1 calc R U . . .
C21 C 0.9090(5) 0.4370(5) 1.1983(4) 0.0886(14) Uani 1 1 d . . . . .
H21 H 0.8782 0.4713 1.1392 0.106 Uiso 1 1 calc R U . . .
C22 C 0.7599(4) 0.0787(4) 0.8432(3) 0.0504(8) Uani 1 1 d . . . . .
C23 C 0.7838(4) -0.0406(4) 0.7720(3) 0.0680(10) Uani 1 1 d . . . . .
H23 H 0.8112 -0.1154 0.7961 0.082 Uiso 1 1 calc R U . . .
C24 C 0.7665(5) -0.0471(5) 0.6642(4) 0.0880(14) Uani 1 1 d . . . . .
H24 H 0.7864 -0.1259 0.6175 0.106 Uiso 1 1 calc R U . . .
C25 C 0.7212(5) 0.0578(6) 0.6245(3) 0.0845(14) Uani 1 1 d D . . . .
C26 C 0.6962(4) 0.1766(5) 0.6967(3) 0.0744(12) Uani 1 1 d . . . . .
H26 H 0.6655 0.2498 0.6714 0.089 Uiso 1 1 calc R U . . .
C27 C 0.7166(4) 0.1873(4) 0.8058(3) 0.0584(9) Uani 1 1 d . . . . .
H27 H 0.7009 0.2678 0.8537 0.070 Uiso 1 1 calc R U . . .
C28 C 0.688(2) 0.055(2) 0.5032(11) 0.121(5) Uani 0.672(10) 1 d D . P A 1
H28A H 0.6261 -0.0337 0.4503 0.145 Uiso 0.672(10) 1 calc R U P A 1
H28B H 0.6347 0.1303 0.4908 0.145 Uiso 0.672(10) 1 calc R U P A 1
C28A C 0.721(6) 0.009(4) 0.503(2) 0.121(5) Uani 0.328(10) 1 d D . P A 2
H28C H 0.8157 -0.0170 0.5027 0.145 Uiso 0.328(10) 1 calc R U P A 2
H28D H 0.6416 -0.0699 0.4539 0.145 Uiso 0.328(10) 1 calc R U P A 2
C29 C 0.8296(16) 0.0726(16) 0.4848(9) 0.185(6) Uani 0.672(10) 1 d D . P A 1
H29A H 0.8081 0.0528 0.4063 0.278 Uiso 0.672(10) 1 calc R U P A 1
H29B H 0.8906 0.0088 0.5100 0.278 Uiso 0.672(10) 1 calc R U P A 1
H29C H 0.8818 0.1675 0.5261 0.278 Uiso 0.672(10) 1 calc R U P A 1
C29A C 0.696(4) 0.136(3) 0.469(2) 0.185(6) Uani 0.328(10) 1 d D . P A 2
H29D H 0.6819 0.1119 0.3912 0.278 Uiso 0.328(10) 1 calc R U P A 2
H29E H 0.7811 0.2096 0.5136 0.278 Uiso 0.328(10) 1 calc R U P A 2
H29F H 0.6089 0.1678 0.4800 0.278 Uiso 0.328(10) 1 calc R U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.7943 1.1372 '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
C22 Se1 C8 99.47(13) . . ?
C2 C1 C6 120.8(3) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C1 C2 C3 119.3(4) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C4 C3 C2 120.5(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 121.0(4) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 118.1(3) . . ?
C6 C5 C10 121.9(3) . . ?
C4 C5 C10 120.0(3) . . ?
C5 C6 C1 120.2(3) . . ?
C5 C6 C7 121.0(3) . . ?
C1 C6 C7 118.6(3) . . ?
O1 C7 C8 122.4(3) . . ?
O1 C7 C6 120.6(3) . . ?
C8 C7 C6 117.0(3) . . ?
C9 C8 C7 122.4(3) . . ?
C9 C8 Se1 120.1(3) . . ?
C7 C8 Se1 117.2(2) . . ?
C8 C9 C16 122.0(3) . . ?
C8 C9 C10 122.6(3) . . ?
C16 C9 C10 115.4(3) . . ?
C11 C10 C15 112.2(3) . . ?
C11 C10 C5 107.7(3) . . ?
C15 C10 C5 106.8(3) . . ?
C11 C10 C9 107.5(3) . . ?
C15 C10 C9 109.1(3) . . ?
C5 C10 C9 113.7(2) . . ?
C12 C11 C10 123.1(3) . . ?
C12 C11 H11 118.4 . . ?
C10 C11 H11 118.4 . . ?
C11 C12 C13 122.6(3) . . ?
C11 C12 H12 118.7 . . ?
C13 C12 H12 118.7 . . ?
O2 C13 C12 121.3(4) . . ?
O2 C13 C14 122.0(4) . . ?
C12 C13 C14 116.7(3) . . ?
C15 C14 C13 121.9(3) . . ?
C15 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
C14 C15 C10 123.4(3) . . ?
C14 C15 H15 118.3 . . ?
C10 C15 H15 118.3 . . ?
C17 C16 C21 119.0(4) . . ?
C17 C16 C9 122.0(3) . . ?
C21 C16 C9 119.1(3) . . ?
C16 C17 C18 120.4(5) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C19 C18 C17 120.5(5) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 120.0(5) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 C21 120.2(5) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C16 C21 C20 119.9(5) . . ?
C16 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C27 C22 C23 119.9(3) . . ?
C27 C22 Se1 122.4(3) . . ?
C23 C22 Se1 117.6(3) . . ?
C22 C23 C24 119.1(4) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C25 C24 C23 122.2(4) . . ?
C25 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C24 C25 C26 118.0(4) . . ?
C24 C25 C28 125.8(8) . . ?
C26 C25 C28 116.2(8) . . ?
C24 C25 C28A 105.1(12) . . ?
C26 C25 C28A 136.8(12) . . ?
C27 C26 C25 120.8(4) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C22 C27 C26 119.9(4) . . ?
C22 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C25 110.1(11) . . ?
C29 C28 H28A 109.6 . . ?
C25 C28 H28A 109.6 . . ?
C29 C28 H28B 109.6 . . ?
C25 C28 H28B 109.6 . . ?
H28A C28 H28B 108.2 . . ?
C29A C28A C25 103.8(18) . . ?
C29A C28A H28C 111.0 . . ?
C25 C28A H28C 111.0 . . ?
C29A C28A H28D 111.0 . . ?
C25 C28A H28D 111.0 . . ?
H28C C28A H28D 109.0 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28A C29A H29D 109.5 . . ?
C28A C29A H29E 109.5 . . ?
H29D C29A H29E 109.5 . . ?
C28A C29A H29F 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?
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
Se1 C22 1.909(3) . ?
Se1 C8 1.918(3) . ?
O1 C7 1.217(4) . ?
O2 C13 1.223(4) . ?
C1 C2 1.367(5) . ?
C1 C6 1.395(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.383(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.372(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.398(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(4) . ?
C5 C10 1.525(4) . ?
C6 C7 1.485(4) . ?
C7 C8 1.479(5) . ?
C8 C9 1.340(4) . ?
C9 C16 1.487(5) . ?
C9 C10 1.537(4) . ?
C10 C11 1.509(4) . ?
C10 C15 1.519(4) . ?
C11 C12 1.321(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.456(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.462(5) . ?
C14 C15 1.322(4) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.365(5) . ?
C16 C21 1.379(5) . ?
C17 C18 1.393(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.354(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.358(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.400(7) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C27 1.373(5) . ?
C22 C23 1.382(5) . ?
C23 C24 1.386(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.360(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.391(6) . ?
C25 C28 1.547(10) . ?
C25 C28A 1.555(19) . ?
C26 C27 1.387(5) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.481(16) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28A C29A 1.498(19) . ?
C28A H28C 0.9700 . ?
C28A H28D 0.9700 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C29A H29D 0.9600 . ?
C29A H29E 0.9600 . ?
C29A H29F 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
C6 C1 C2 C3 -1.5(6) . . . . ?
C1 C2 C3 C4 2.8(6) . . . . ?
C2 C3 C4 C5 -1.4(6) . . . . ?
C3 C4 C5 C6 -1.1(5) . . . . ?
C3 C4 C5 C10 -179.1(3) . . . . ?
C4 C5 C6 C1 2.4(5) . . . . ?
C10 C5 C6 C1 -179.7(3) . . . . ?
C4 C5 C6 C7 -173.2(3) . . . . ?
C10 C5 C6 C7 4.8(4) . . . . ?
C2 C1 C6 C5 -1.1(5) . . . . ?
C2 C1 C6 C7 174.6(3) . . . . ?
C5 C6 C7 O1 166.6(3) . . . . ?
C1 C6 C7 O1 -9.1(5) . . . . ?
C5 C6 C7 C8 -12.9(4) . . . . ?
C1 C6 C7 C8 171.5(3) . . . . ?
O1 C7 C8 C9 -168.2(3) . . . . ?
C6 C7 C8 C9 11.2(4) . . . . ?
O1 C7 C8 Se1 5.4(4) . . . . ?
C6 C7 C8 Se1 -175.2(2) . . . . ?
C7 C8 C9 C16 178.2(3) . . . . ?
Se1 C8 C9 C16 4.8(4) . . . . ?
C7 C8 C9 C10 -1.3(5) . . . . ?
Se1 C8 C9 C10 -174.7(2) . . . . ?
C6 C5 C10 C11 123.9(3) . . . . ?
C4 C5 C10 C11 -58.2(4) . . . . ?
C6 C5 C10 C15 -115.4(3) . . . . ?
C4 C5 C10 C15 62.5(4) . . . . ?
C6 C5 C10 C9 5.0(4) . . . . ?
C4 C5 C10 C9 -177.1(3) . . . . ?
C8 C9 C10 C11 -125.9(3) . . . . ?
C16 C9 C10 C11 54.6(4) . . . . ?
C8 C9 C10 C15 112.3(3) . . . . ?
C16 C9 C10 C15 -67.2(4) . . . . ?
C8 C9 C10 C5 -6.9(4) . . . . ?
C16 C9 C10 C5 173.7(3) . . . . ?
C15 C10 C11 C12 -2.1(5) . . . . ?
C5 C10 C11 C12 115.1(4) . . . . ?
C9 C10 C11 C12 -122.0(4) . . . . ?
C10 C11 C12 C13 0.6(6) . . . . ?
C11 C12 C13 O2 -178.8(4) . . . . ?
C11 C12 C13 C14 0.4(6) . . . . ?
O2 C13 C14 C15 179.6(4) . . . . ?
C12 C13 C14 C15 0.3(6) . . . . ?
C13 C14 C15 C10 -2.1(6) . . . . ?
C11 C10 C15 C14 2.9(5) . . . . ?
C5 C10 C15 C14 -114.9(4) . . . . ?
C9 C10 C15 C14 121.8(4) . . . . ?
C8 C9 C16 C17 -95.7(4) . . . . ?
C10 C9 C16 C17 83.8(4) . . . . ?
C8 C9 C16 C21 83.5(5) . . . . ?
C10 C9 C16 C21 -97.1(4) . . . . ?
C21 C16 C17 C18 0.9(7) . . . . ?
C9 C16 C17 C18 180.0(4) . . . . ?
C16 C17 C18 C19 -1.2(8) . . . . ?
C17 C18 C19 C20 1.2(9) . . . . ?
C18 C19 C20 C21 -0.9(10) . . . . ?
C17 C16 C21 C20 -0.5(7) . . . . ?
C9 C16 C21 C20 -179.7(4) . . . . ?
C19 C20 C21 C16 0.5(9) . . . . ?
C27 C22 C23 C24 1.3(6) . . . . ?
Se1 C22 C23 C24 -176.3(3) . . . . ?
C22 C23 C24 C25 -2.5(7) . . . . ?
C23 C24 C25 C26 1.9(7) . . . . ?
C23 C24 C25 C28 -175.5(11) . . . . ?
C23 C24 C25 C28A 179(2) . . . . ?
C24 C25 C26 C27 -0.2(6) . . . . ?
C28 C25 C26 C27 177.5(10) . . . . ?
C28A C25 C26 C27 -175(3) . . . . ?
C23 C22 C27 C26 0.4(5) . . . . ?
Se1 C22 C27 C26 177.8(3) . . . . ?
C25 C26 C27 C22 -0.9(6) . . . . ?
C24 C25 C28 C29 -73.6(18) . . . . ?
C26 C25 C28 C29 109.0(12) . . . . ?
C24 C25 C28A C29A -171(3) . . . . ?
C26 C25 C28A C29A 5(5) . . . . ?
