#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:41:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179759 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/55/7005526.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_7005526
loop_
_publ_author_name
'Hua, Guoxiong'
'Li, Yang'
'Slawin, Alexandra M. Z.'
'Woollins, J. Derek'
_publ_section_title
;
 Stereoselective synthesis of olefins by a reductive coupling reaction.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1477
_journal_page_last               1480
_journal_paper_doi               10.1039/b702818k
_journal_year                    2007
_chemical_formula_moiety         'C35 H25 P Se'
_chemical_formula_sum            'C35 H25 P Se'
_chemical_formula_weight         555.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.949(5)
_cell_angle_beta                 96.458(5)
_cell_angle_gamma                106.949(5)
_cell_formula_units_Z            2
_cell_length_a                   8.7786(16)
_cell_length_b                   12.928(3)
_cell_length_c                   13.292(3)
_cell_measurement_reflns_used    3739
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      24.78
_cell_measurement_theta_min      1.71
_cell_volume                     1307.4(5)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2004)'
_computing_molecular_graphics    PLATON
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 0.83
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.730
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_sigmaI/netI    0.1470
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8762
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    1.520
_exptl_absorpt_correction_T_max  0.9279
_exptl_absorpt_correction_T_min  0.8628
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.561
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4720
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.0930
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0280P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                3071
_reflns_number_total             4720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b702818k.txt
_cod_data_source_block           17
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1307.3(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7005526
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se 0.07052(5) -0.03489(4) 0.32467(4) 0.03075(17) Uani 1 1 d . . .
P1 P 0.24949(13) 0.12524(11) 0.34684(10) 0.0267(3) Uani 1 1 d . . .
C1 C 0.2329(4) 0.1842(4) 0.2439(4) 0.0193(10) Uani 1 1 d . . .
C2 C 0.2211(4) 0.1504(4) 0.1334(4) 0.0213(10) Uani 1 1 d . . .
C3 C 0.1913(5) 0.2463(3) 0.1024(3) 0.0191(10) Uani 1 1 d . . .
H3 H 0.0799 0.2126 0.0511 0.023 Uiso 1 1 calc R . .
C4 C 0.1905(4) 0.3395(4) 0.2119(4) 0.0199(10) Uani 1 1 d . . .
C5 C 0.2146(5) 0.3014(4) 0.2933(4) 0.0223(10) Uani 1 1 d . . .
C6 C 0.2149(5) 0.3394(4) 0.4105(4) 0.0224(10) Uani 1 1 d . . .
C7 C 0.2369(5) 0.2570(4) 0.4534(4) 0.0242(11) Uani 1 1 d . . .
C8 C 0.2344(5) 0.2741(4) 0.5624(4) 0.0320(12) Uani 1 1 d . . .
H8 H 0.2488 0.2178 0.5893 0.038 Uiso 1 1 calc R . .
C9 C 0.2104(5) 0.3750(4) 0.6316(4) 0.0340(12) Uani 1 1 d . . .
H9 H 0.2091 0.3880 0.7064 0.041 Uiso 1 1 calc R . .
C10 C 0.1886(5) 0.4564(4) 0.5920(4) 0.0333(12) Uani 1 1 d . . .
H10 H 0.1729 0.5251 0.6402 0.040 Uiso 1 1 calc R . .
C11 C 0.1892(5) 0.4390(4) 0.4820(4) 0.0277(11) Uani 1 1 d . . .
H11 H 0.1721 0.4951 0.4557 0.033 Uiso 1 1 calc R . .
C12 C 0.4591(5) 0.1318(4) 0.3785(4) 0.0277(11) Uani 1 1 d . . .
C13 C 0.4939(6) 0.0368(5) 0.3856(4) 0.0416(14) Uani 1 1 d . . .
H13 H 0.4064 -0.0328 0.3749 0.050 Uiso 1 1 calc R . .
C14 C 0.6545(6) 0.0412(5) 0.4079(4) 0.0447(14) Uani 1 1 d . . .
H14 H 0.6766 -0.0255 0.4110 0.054 Uiso 1 1 calc R . .
C15 C 0.7826(5) 0.1441(5) 0.4259(4) 0.0393(14) Uani 1 1 d . . .
H15 H 0.8935 0.1499 0.4440 0.047 Uiso 1 1 calc R . .
C16 C 0.7461(6) 0.2376(4) 0.4170(4) 0.0330(12) Uani 1 1 d . . .
H16 H 0.8329 0.3077 0.4279 0.040 Uiso 1 1 calc R . .
C17 C 0.5941(5) 0.2316(4) 0.3938(3) 0.0213(10) Uani 1 1 d . . .
H17 H 0.5740 0.2974 0.3869 0.026 Uiso 1 1 calc R . .
C18 C 0.2367(4) 0.0438(4) 0.0533(4) 0.0210(10) Uani 1 1 d . . .
C19 C 0.3133(5) -0.0221(4) 0.0876(4) 0.0295(12) Uani 1 1 d . . .
H19 H 0.3539 0.0011 0.1647 0.035 Uiso 1 1 calc R . .
C20 C 0.3317(5) -0.1220(4) 0.0107(4) 0.0357(13) Uani 1 1 d . . .
H20 H 0.3848 -0.1660 0.0354 0.043 Uiso 1 1 calc R . .
C21 C 0.2720(5) -0.1562(4) -0.1015(4) 0.0296(12) Uani 1 1 d . . .
H21 H 0.2851 -0.2237 -0.1540 0.036 Uiso 1 1 calc R . .
C22 C 0.1943(5) -0.0938(4) -0.1376(4) 0.0262(11) Uani 1 1 d . . .
H22 H 0.1525 -0.1185 -0.2148 0.031 Uiso 1 1 calc R . .
C23 C 0.1765(5) 0.0057(4) -0.0613(4) 0.0222(10) Uani 1 1 d . . .
H23 H 0.1227 0.0487 -0.0870 0.027 Uiso 1 1 calc R . .
C24 C 0.3182(5) 0.2954(4) 0.0459(4) 0.0216(10) Uani 1 1 d . . .
C25 C 0.4828(5) 0.3559(4) 0.1071(4) 0.0285(11) Uani 1 1 d . . .
H25 H 0.5113 0.3674 0.1825 0.034 Uiso 1 1 calc R . .
C26 C 0.6005(6) 0.3976(4) 0.0593(4) 0.0328(12) Uani 1 1 d . . .
H26 H 0.7108 0.4386 0.1020 0.039 Uiso 1 1 calc R . .
C27 C 0.5641(6) 0.3821(4) -0.0486(5) 0.0360(13) Uani 1 1 d . . .
H27 H 0.6484 0.4124 -0.0806 0.043 Uiso 1 1 calc R . .
C28 C 0.4020(6) 0.3214(4) -0.1122(4) 0.0400(13) Uani 1 1 d . . .
H28 H 0.3757 0.3085 -0.1881 0.048 Uiso 1 1 calc R . .
C29 C 0.2795(6) 0.2801(4) -0.0626(4) 0.0313(12) Uani 1 1 d . . .
H29 H 0.1685 0.2412 -0.1043 0.038 Uiso 1 1 calc R . .
C30 C 0.1790(5) 0.4533(4) 0.2203(4) 0.0214(10) Uani 1 1 d . . .
C31 C 0.0595(5) 0.4585(4) 0.1459(4) 0.0260(11) Uani 1 1 d . . .
H31 H -0.0178 0.3869 0.0895 0.031 Uiso 1 1 calc R . .
C32 C 0.0511(5) 0.5668(4) 0.1528(4) 0.0323(12) Uani 1 1 d . . .
H32 H -0.0317 0.5684 0.1014 0.039 Uiso 1 1 calc R . .
C33 C 0.1638(6) 0.6726(4) 0.2347(4) 0.0350(13) Uani 1 1 d . . .
H33 H 0.1580 0.7465 0.2400 0.042 Uiso 1 1 calc R . .
C34 C 0.2845(6) 0.6686(4) 0.3082(4) 0.0322(12) Uani 1 1 d . . .
H34 H 0.3626 0.7405 0.3638 0.039 Uiso 1 1 calc R . .
C35 C 0.2929(5) 0.5619(4) 0.3020(4) 0.0263(11) Uani 1 1 d . . .
H35 H 0.3765 0.5613 0.3535 0.032 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 0.0030 0.0020 '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 0.1020 0.0940 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0930 2.2260 '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 P1 C12 107.27(19) . . ?
C1 P1 C7 91.3(2) . . ?
C12 P1 C7 106.9(2) . . ?
C1 P1 Se1 119.56(13) . . ?
C12 P1 Se1 114.64(16) . . ?
C7 P1 Se1 114.37(14) . . ?
C2 C1 C5 110.5(4) . . ?
C2 C1 P1 139.0(4) . . ?
C5 C1 P1 110.3(3) . . ?
C1 C2 C18 128.9(4) . . ?
C1 C2 C3 107.9(4) . . ?
C18 C2 C3 123.2(4) . . ?
C2 C3 C4 104.1(4) . . ?
C2 C3 C24 113.0(3) . . ?
C4 C3 C24 113.3(3) . . ?
C2 C3 H3 108.8 . . ?
C4 C3 H3 108.8 . . ?
C24 C3 H3 108.8 . . ?
C5 C4 C30 129.5(4) . . ?
C5 C4 C3 108.7(4) . . ?
C30 C4 C3 121.7(4) . . ?
C4 C5 C6 137.6(4) . . ?
C4 C5 C1 108.8(4) . . ?
C6 C5 C1 113.4(4) . . ?
C11 C6 C7 117.7(4) . . ?
C11 C6 C5 129.6(4) . . ?
C7 C6 C5 112.7(4) . . ?
C8 C7 C6 121.8(4) . . ?
C8 C7 P1 125.6(4) . . ?
C6 C7 P1 112.4(3) . . ?
C7 C8 C9 119.0(5) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C10 C9 C8 120.4(5) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 120.9(5) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C6 C11 C10 120.2(5) . . ?
C6 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C17 116.6(4) . . ?
C13 C12 P1 121.3(4) . . ?
C17 C12 P1 122.1(4) . . ?
C12 C13 C14 121.2(5) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C15 119.3(5) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C16 C15 C14 118.8(4) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
C17 C16 C15 121.3(4) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C16 C17 C12 122.7(5) . . ?
C16 C17 H17 118.6 . . ?
C12 C17 H17 118.6 . . ?
C19 C18 C23 117.7(4) . . ?
C19 C18 C2 121.4(4) . . ?
C23 C18 C2 120.9(4) . . ?
C18 C19 C20 121.1(5) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C21 C20 C19 119.5(4) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C22 C21 C20 120.5(5) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 120.0(4) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C18 121.1(4) . . ?
C22 C23 H23 119.4 . . ?
C18 C23 H23 119.4 . . ?
C29 C24 C25 118.9(4) . . ?
C29 C24 C3 122.8(4) . . ?
C25 C24 C3 118.3(4) . . ?
C26 C25 C24 120.4(5) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C27 121.4(5) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
C26 C27 C28 119.8(4) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C29 C28 C27 119.1(5) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C24 C29 C28 120.5(4) . . ?
C24 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C31 C30 C35 117.5(4) . . ?
C31 C30 C4 121.4(4) . . ?
C35 C30 C4 121.1(4) . . ?
C30 C31 C32 121.2(4) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C33 C32 C31 120.1(4) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C34 C33 C32 119.2(5) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C35 C34 C33 120.9(4) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C34 C35 C30 121.1(4) . . ?
C34 C35 H35 119.4 . . ?
C30 C35 H35 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
Se1 P1 2.0986(13) . ?
P1 C1 1.800(4) . ?
P1 C12 1.811(4) . ?
P1 C7 1.828(5) . ?
C1 C2 1.356(6) . ?
C1 C5 1.486(6) . ?
C2 C18 1.465(6) . ?
C2 C3 1.519(6) . ?
C3 C4 1.524(6) . ?
C3 C24 1.525(6) . ?
C3 H3 1.0000 . ?
C4 C5 1.359(6) . ?
C4 C30 1.470(6) . ?
C5 C6 1.456(6) . ?
C6 C11 1.398(6) . ?
C6 C7 1.423(6) . ?
C7 C8 1.388(6) . ?
C8 C9 1.392(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.399(6) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.380(6) . ?
C12 C17 1.406(6) . ?
C13 C14 1.388(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.390(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.377(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.309(6) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.388(6) . ?
C18 C23 1.404(5) . ?
C19 C20 1.397(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.383(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.368(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.388(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C29 1.371(6) . ?
C24 C25 1.408(5) . ?
C25 C26 1.353(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.362(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.400(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.399(6) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.392(5) . ?
C30 C35 1.413(6) . ?
C31 C32 1.395(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.392(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.376(6) . ?
C34 H34 0.9500 . ?
C35 H35 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
C12 P1 C1 C2 76.5(5) . . . . ?
C7 P1 C1 C2 -175.4(4) . . . . ?
Se1 P1 C1 C2 -56.3(5) . . . . ?
C12 P1 C1 C5 -109.4(3) . . . . ?
C7 P1 C1 C5 -1.3(3) . . . . ?
Se1 P1 C1 C5 117.9(2) . . . . ?
C5 C1 C2 C18 178.0(3) . . . . ?
P1 C1 C2 C18 -7.9(7) . . . . ?
C5 C1 C2 C3 -0.7(4) . . . . ?
P1 C1 C2 C3 173.5(3) . . . . ?
C1 C2 C3 C4 0.8(4) . . . . ?
C18 C2 C3 C4 -178.0(3) . . . . ?
C1 C2 C3 C24 124.1(4) . . . . ?
C18 C2 C3 C24 -54.7(5) . . . . ?
C2 C3 C4 C5 -0.6(4) . . . . ?
C24 C3 C4 C5 -123.7(4) . . . . ?
C2 C3 C4 C30 174.7(3) . . . . ?
C24 C3 C4 C30 51.6(5) . . . . ?
C30 C4 C5 C6 11.2(8) . . . . ?
C3 C4 C5 C6 -174.0(4) . . . . ?
C30 C4 C5 C1 -174.6(4) . . . . ?
C3 C4 C5 C1 0.2(4) . . . . ?
C2 C1 C5 C4 0.3(4) . . . . ?
P1 C1 C5 C4 -175.6(3) . . . . ?
C2 C1 C5 C6 176.1(3) . . . . ?
P1 C1 C5 C6 0.1(4) . . . . ?
C4 C5 C6 C11 -0.9(8) . . . . ?
C1 C5 C6 C11 -175.0(4) . . . . ?
C4 C5 C6 C7 175.6(4) . . . . ?
C1 C5 C6 C7 1.5(5) . . . . ?
C11 C6 C7 C8 -0.4(6) . . . . ?
C5 C6 C7 C8 -177.4(4) . . . . ?
C11 C6 C7 P1 174.5(3) . . . . ?
C5 C6 C7 P1 -2.4(4) . . . . ?
C1 P1 C7 C8 176.9(4) . . . . ?
C12 P1 C7 C8 -74.6(4) . . . . ?
Se1 P1 C7 C8 53.4(4) . . . . ?
C1 P1 C7 C6 2.1(3) . . . . ?
C12 P1 C7 C6 110.6(3) . . . . ?
Se1 P1 C7 C6 -121.4(3) . . . . ?
C6 C7 C8 C9 -0.3(6) . . . . ?
P1 C7 C8 C9 -174.6(3) . . . . ?
C7 C8 C9 C10 0.4(6) . . . . ?
C8 C9 C10 C11 0.3(7) . . . . ?
C7 C6 C11 C10 1.1(6) . . . . ?
C5 C6 C11 C10 177.5(4) . . . . ?
C9 C10 C11 C6 -1.1(6) . . . . ?
C1 P1 C12 C13 -134.6(4) . . . . ?
C7 P1 C12 C13 128.6(4) . . . . ?
Se1 P1 C12 C13 0.7(5) . . . . ?
C1 P1 C12 C17 43.4(4) . . . . ?
C7 P1 C12 C17 -53.4(4) . . . . ?
Se1 P1 C12 C17 178.7(3) . . . . ?
C17 C12 C13 C14 0.8(7) . . . . ?
P1 C12 C13 C14 178.9(4) . . . . ?
C12 C13 C14 C15 1.4(8) . . . . ?
C13 C14 C15 C16 -2.3(7) . . . . ?
C14 C15 C16 C17 1.1(7) . . . . ?
C15 C16 C17 C12 1.2(7) . . . . ?
C13 C12 C17 C16 -2.1(7) . . . . ?
P1 C12 C17 C16 179.8(4) . . . . ?
C1 C2 C18 C19 -19.0(6) . . . . ?
C3 C2 C18 C19 159.4(4) . . . . ?
C1 C2 C18 C23 161.9(4) . . . . ?
C3 C2 C18 C23 -19.7(5) . . . . ?
C23 C18 C19 C20 0.8(6) . . . . ?
C2 C18 C19 C20 -178.3(4) . . . . ?
C18 C19 C20 C21 -0.3(6) . . . . ?
C19 C20 C21 C22 -0.5(6) . . . . ?
C20 C21 C22 C23 0.8(6) . . . . ?
C21 C22 C23 C18 -0.2(6) . . . . ?
C19 C18 C23 C22 -0.6(6) . . . . ?
C2 C18 C23 C22 178.6(3) . . . . ?
C2 C3 C24 C29 114.1(5) . . . . ?
C4 C3 C24 C29 -127.8(4) . . . . ?
C2 C3 C24 C25 -64.1(5) . . . . ?
C4 C3 C24 C25 54.0(5) . . . . ?
C29 C24 C25 C26 -0.3(7) . . . . ?
C3 C24 C25 C26 177.9(4) . . . . ?
C24 C25 C26 C27 -0.3(7) . . . . ?
C25 C26 C27 C28 -0.3(7) . . . . ?
C26 C27 C28 C29 1.5(7) . . . . ?
C25 C24 C29 C28 1.5(7) . . . . ?
C3 C24 C29 C28 -176.6(4) . . . . ?
C27 C28 C29 C24 -2.1(7) . . . . ?
C5 C4 C30 C31 -136.3(5) . . . . ?
C3 C4 C30 C31 49.5(6) . . . . ?
C5 C4 C30 C35 46.0(6) . . . . ?
C3 C4 C30 C35 -128.2(4) . . . . ?
C35 C30 C31 C32 -0.9(6) . . . . ?
C4 C30 C31 C32 -178.7(4) . . . . ?
C30 C31 C32 C33 0.3(7) . . . . ?
C31 C32 C33 C34 0.5(7) . . . . ?
C32 C33 C34 C35 -0.7(7) . . . . ?
C33 C34 C35 C30 0.2(7) . . . . ?
C31 C30 C35 C34 0.6(6) . . . . ?
C4 C30 C35 C34 178.4(4) . . . . ?
