#------------------------------------------------------------------------------
#$Date: 2016-03-21 03:07:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178421 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/42/4024265.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_4024265
loop_
_publ_author_name
'Katharine Geramita'
'Jennifer McBee'
'T. Don Tilley'
_publ_section_title
;
2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for
Electron Transporting Materials
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              820
_journal_page_last               829
_journal_paper_doi               10.1021/jo802171t
_journal_volume                  74
_journal_year                    2009
_chemical_formula_moiety         'C25.64 H10.64 F6 O P S2'
_chemical_formula_sum            'C25.64 H10.64 F6 O P S2'
_chemical_formula_weight         543.44
_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                108.257(3)
_cell_angle_beta                 94.493(3)
_cell_angle_gamma                107.582(3)
_cell_formula_units_Z            2
_cell_length_a                   7.5554(12)
_cell_length_b                   10.6761(18)
_cell_length_c                   15.488(3)
_cell_measurement_reflns_used    1527
_cell_measurement_temperature    167(2)
_cell_measurement_theta_max      22.87
_cell_measurement_theta_min      2.87
_cell_volume                     1110.2(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      167(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0796
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5616
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.41
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.382
_exptl_absorpt_correction_T_max  .98
_exptl_absorpt_correction_T_min  .91
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'Sadabs, 2004'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.336
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         3168
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.875
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0510P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0985
_reflns_number_gt                1949
_reflns_number_total             3168
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo802171t_si_006.cif
_cod_data_source_block           cutm
_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_sg_symbol_H-M      P-1
_cod_database_code               4024265
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
P1 P 0.45489(13) 0.70713(10) 0.25292(7) 0.0338(3) Uani 1 1 d . . .
S1 S 0.24136(15) 0.41942(12) 0.50952(8) 0.0425(3) Uani 0.85 1 d PD A 1
C25 C -0.0829(13) 0.2607(13) 0.4183(10) 0.055(3) Uani 0.85 1 d P A 1
H25A H -0.1890 0.2127 0.3711 0.066 Uiso 0.85 1 calc PR A 1
S2 S 0.4378(2) 0.69211(18) -0.19694(10) 0.0661(5) Uani 0.79 1 d PD B 1
C9 C 0.6168(7) 0.8809(5) -0.0590(3) 0.0192(13) Uiso 0.79 1 d P B 1
H9A H 0.6506 0.9435 0.0019 0.023 Uiso 0.79 1 calc PR B 1
S1A S -0.1312(17) 0.231(2) 0.3985(14) 0.047(4) Uani 0.15 1 d PD A 2
S2A S 0.6843(8) 0.8963(5) -0.0382(4) 0.0532(19) Uiso 0.21 1 d PD B 2
F2 F 0.5956(3) 0.8501(2) 0.11702(15) 0.0571(6) Uani 1 1 d . B .
F3 F 0.3498(3) 0.60452(19) 0.41200(13) 0.0405(5) Uani 1 1 d . A .
F4 F -0.0389(3) 0.2287(2) 0.07478(14) 0.0534(6) Uani 1 1 d . . .
F5 F -0.0990(3) 0.1668(2) 0.22120(14) 0.0536(6) Uani 1 1 d . A .
F6 F 0.0716(3) 0.3289(2) -0.04976(14) 0.0592(6) Uani 1 1 d . . .
F8 F 0.2153(3) 0.4728(3) -0.14977(15) 0.0680(7) Uani 1 1 d . B .
O1 O 0.6542(3) 0.7426(2) 0.29325(16) 0.0408(7) Uani 1 1 d . . .
C8 C 0.4987(5) 0.7465(4) -0.0815(2) 0.0574(12) Uani 1 1 d D . .
C10 C 0.0805(4) 0.3519(3) 0.4099(2) 0.0356(9) Uani 1 1 d D . .
C11 C 0.2538(5) 0.5115(4) 0.0907(2) 0.0346(9) Uani 1 1 d . . .
C12 C 0.1161(5) 0.3846(4) 0.3255(2) 0.0341(9) Uani 1 1 d . A .
C13 C 0.3592(5) 0.8415(3) 0.3020(2) 0.0298(8) Uani 1 1 d . . .
C14 C 0.0996(5) 0.9264(4) 0.3183(3) 0.0451(10) Uani 1 1 d . . .
H14A H -0.0263 0.9143 0.2995 0.054 Uiso 1 1 calc R . .
C15 C 0.0612(5) 0.3260(4) 0.1561(2) 0.0357(9) Uani 1 1 d . A .
C16 C 0.1919(4) 0.4526(4) 0.1626(2) 0.0323(9) Uani 1 1 d . . .
C17 C 0.3906(5) 0.6480(4) 0.1287(2) 0.0346(9) Uani 1 1 d . B .
C18 C 0.4637(5) 0.7196(4) 0.0731(3) 0.0421(10) Uani 1 1 d . . .
C19 C 0.4165(6) 0.6696(5) -0.0233(3) 0.0454(10) Uani 1 1 d . B .
C20 C 0.2016(5) 0.4582(4) -0.0033(3) 0.0426(10) Uani 1 1 d . B .
C21 C 0.2502(5) 0.5096(3) 0.3283(2) 0.0307(9) Uani 1 1 d . . .
C22 C 0.2883(4) 0.5448(3) 0.2525(2) 0.0304(9) Uani 1 1 d . A .
C23 C -0.0733(5) 0.2467(4) 0.5078(3) 0.0429(10) Uani 1 1 d . . .
H23A H -0.1709 0.1897 0.5261 0.051 Uiso 1 1 calc R A 1
C24 C 0.2797(6) 0.5361(5) -0.0575(3) 0.0468(11) Uani 1 1 d . . .
C26 C 0.4743(5) 0.9629(4) 0.3721(2) 0.0393(9) Uani 1 1 d . . .
H26A H 0.6009 0.9761 0.3901 0.047 Uiso 1 1 calc R . .
C27 C 0.4006(6) 1.0652(4) 0.4157(3) 0.0504(11) Uani 1 1 d . . .
H27A H 0.4784 1.1468 0.4630 0.060 Uiso 1 1 calc R . .
C28 C 0.1713(5) 0.8241(4) 0.2749(2) 0.0389(10) Uani 1 1 d . . .
H28A H 0.0935 0.7429 0.2273 0.047 Uiso 1 1 calc R . .
C29 C 0.0276(5) 0.2950(4) 0.2355(3) 0.0387(10) Uani 1 1 d . . .
C30 C 0.2136(6) 1.0472(4) 0.3897(3) 0.0468(11) Uani 1 1 d . . .
H30A H 0.1644 1.1155 0.4197 0.056 Uiso 1 1 calc R . .
C32 C 0.0980(5) 0.3284(4) 0.5611(3) 0.0472(11) Uani 1 1 d . A .
H32A H 0.1325 0.3333 0.6214 0.057 Uiso 1 1 calc R C 1
C33 C 0.5836(8) 0.8262(8) -0.2098(4) 0.108(3) Uani 1 1 d . . .
H33A H 0.5948 0.8353 -0.2671 0.129 Uiso 1 1 calc R B 1
C34 C 0.6858(9) 0.9220(7) -0.1310(5) 0.105(2) Uani 1 1 d . B .
H34A H 0.7862 1.0028 -0.1242 0.125 Uiso 1 1 calc R D 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 '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 P1 C13 113.97(15) . . ?
O1 P1 C17 117.62(15) . . ?
C13 P1 C17 108.27(16) . . ?
O1 P1 C22 117.38(15) . . ?
C13 P1 C22 106.65(15) . . ?
C17 P1 C22 90.22(16) . . ?
C32 S1 C10 93.13(18) . . ?
C10 C25 C23 112.9(8) . . ?
C10 C25 H25A 123.6 . . ?
C23 C25 H25A 123.6 . . ?
C33 S2 C8 96.9(3) . . ?
C8 C9 C34 117.5(5) . . ?
C8 C9 H9A 121.3 . . ?
C34 C9 H9A 121.3 . . ?
C23 S1A C10 88.9(7) . . ?
C34 S2A C8 94.2(4) . . ?
C9 C8 C19 130.8(3) . . ?
C9 C8 S2A 16.3(3) . . ?
C19 C8 S2A 121.6(3) . . ?
C9 C8 S2 102.9(3) . . ?
C19 C8 S2 125.7(3) . . ?
S2A C8 S2 112.4(3) . . ?
C25 C10 C12 125.5(6) . . ?
C25 C10 S1A 10.8(12) . . ?
C12 C10 S1A 114.8(7) . . ?
C25 C10 S1 110.2(6) . . ?
C12 C10 S1 124.3(3) . . ?
S1A C10 S1 120.8(7) . . ?
C20 C11 C17 115.7(3) . . ?
C20 C11 C16 131.7(3) . . ?
C17 C11 C16 112.6(3) . . ?
C29 C12 C21 112.4(3) . . ?
C29 C12 C10 125.0(3) . . ?
C21 C12 C10 122.6(3) . . ?
C26 C13 C28 119.5(3) . . ?
C26 C13 P1 118.5(3) . . ?
C28 C13 P1 121.9(3) . . ?
C28 C14 C30 120.4(4) . . ?
C28 C14 H14A 119.8 . . ?
C30 C14 H14A 119.8 . . ?
F4 C15 C16 122.4(3) . . ?
F4 C15 C29 117.1(3) . . ?
C16 C15 C29 120.5(3) . . ?
C15 C16 C22 116.4(3) . . ?
C15 C16 C11 131.5(3) . . ?
C22 C16 C11 112.1(3) . . ?
C18 C17 C11 121.0(3) . . ?
C18 C17 P1 126.6(3) . . ?
C11 C17 P1 112.4(3) . . ?
F2 C18 C17 116.0(3) . . ?
F2 C18 C19 118.4(3) . . ?
C17 C18 C19 125.6(4) . . ?
C24 C19 C18 111.5(3) . . ?
C24 C19 C8 123.8(4) . . ?
C18 C19 C8 124.8(4) . . ?
F6 C20 C11 122.6(3) . . ?
F6 C20 C24 116.2(3) . . ?
C11 C20 C24 121.2(4) . . ?
F3 C21 C22 116.9(3) . . ?
F3 C21 C12 118.2(3) . . ?
C22 C21 C12 124.8(3) . . ?
C21 C22 C16 120.9(3) . . ?
C21 C22 P1 126.4(3) . . ?
C16 C22 P1 112.6(3) . . ?
C32 C23 C25 110.0(4) . . ?
C32 C23 S1A 123.2(4) . . ?
C25 C23 S1A 13.5(4) . . ?
C32 C23 H23A 125.0 . . ?
C25 C23 H23A 125.0 . . ?
S1A C23 H23A 111.7 . . ?
F8 C24 C19 119.3(4) . . ?
F8 C24 C20 115.7(4) . . ?
C19 C24 C20 125.0(4) . . ?
C13 C26 C27 119.8(3) . . ?
C13 C26 H26A 120.1 . . ?
C27 C26 H26A 120.1 . . ?
C30 C27 C26 120.7(4) . . ?
C30 C27 H27A 119.7 . . ?
C26 C27 H27A 119.7 . . ?
C14 C28 C13 120.3(3) . . ?
C14 C28 H28A 119.9 . . ?
C13 C28 H28A 119.9 . . ?
F5 C29 C12 119.4(3) . . ?
F5 C29 C15 115.7(3) . . ?
C12 C29 C15 124.9(3) . . ?
C27 C30 C14 119.3(4) . . ?
C27 C30 H30A 120.4 . . ?
C14 C30 H30A 120.4 . . ?
C23 C32 S1 113.8(3) . . ?
C23 C32 H32A 123.1 . . ?
S1 C32 H32A 123.1 . . ?
C34 C33 S2 113.0(4) . . ?
C34 C33 H33A 123.5 . . ?
S2 C33 H33A 123.5 . . ?
C33 C34 C9 107.9(6) . . ?
C33 C34 S2A 122.5(6) . . ?
C9 C34 S2A 20.0(3) . . ?
C33 C34 H34A 126.1 . . ?
C9 C34 H34A 126.1 . . ?
S2A C34 H34A 110.0 . . ?
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
P1 O1 1.470(2) . ?
P1 C13 1.785(4) . ?
P1 C17 1.801(4) . ?
P1 C22 1.807(3) . ?
S1 C32 1.656(4) . ?
S1 C10 1.690(3) . ?
C25 C10 1.367(8) . ?
C25 C23 1.438(13) . ?
C25 H25A 0.9300 . ?
S2 C33 1.601(7) . ?
S2 C8 1.675(3) . ?
C9 C8 1.357(6) . ?
C9 C34 1.404(6) . ?
C9 H9A 0.9300 . ?
S1A C23 1.66(2) . ?
S1A C10 1.679(3) . ?
S2A C34 1.547(8) . ?
S2A C8 1.673(3) . ?
F2 C18 1.364(4) . ?
F3 C21 1.356(3) . ?
F4 C15 1.339(4) . ?
F5 C29 1.350(4) . ?
F6 C20 1.355(4) . ?
F8 C24 1.350(4) . ?
C8 C19 1.454(5) . ?
C10 C12 1.479(4) . ?
C11 C20 1.363(5) . ?
C11 C17 1.413(4) . ?
C11 C16 1.482(5) . ?
C12 C29 1.392(5) . ?
C12 C21 1.397(4) . ?
C13 C26 1.380(4) . ?
C13 C28 1.387(4) . ?
C14 C28 1.376(5) . ?
C14 C30 1.383(5) . ?
C14 H14A 0.9300 . ?
C15 C16 1.380(4) . ?
C15 C29 1.393(5) . ?
C16 C22 1.410(4) . ?
C17 C18 1.365(5) . ?
C18 C19 1.393(5) . ?
C19 C24 1.390(5) . ?
C20 C24 1.401(5) . ?
C21 C22 1.365(4) . ?
C23 C32 1.348(5) . ?
C23 H23A 0.9300 . ?
C26 C27 1.386(5) . ?
C26 H26A 0.9300 . ?
C27 C30 1.377(5) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C30 H30A 0.9300 . ?
C32 H32A 0.9300 . ?
C33 C34 1.313(7) . ?
C33 H33A 0.9300 . ?
C34 H34A 0.9300 . ?
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
C34 C9 C8 C19 174.6(4) . . . . ?
C34 C9 C8 S2A 113.4(14) . . . . ?
C34 C9 C8 S2 -14.3(5) . . . . ?
C34 S2A C8 C9 -47.8(12) . . . . ?
C34 S2A C8 C19 -176.6(4) . . . . ?
C34 S2A C8 S2 8.8(5) . . . . ?
C33 S2 C8 C9 8.4(4) . . . . ?
C33 S2 C8 C19 -179.8(4) . . . . ?
C33 S2 C8 S2A -5.4(4) . . . . ?
C23 C25 C10 C12 177.9(6) . . . . ?
C23 C25 C10 S1A 168(9) . . . . ?
C23 C25 C10 S1 -0.3(12) . . . . ?
C23 S1A C10 C25 -10(7) . . . . ?
C23 S1A C10 C12 179.3(5) . . . . ?
C23 S1A C10 S1 3.3(14) . . . . ?
C32 S1 C10 C25 0.6(7) . . . . ?
C32 S1 C10 C12 -177.6(3) . . . . ?
C32 S1 C10 S1A -2.0(11) . . . . ?
C25 C10 C12 C29 -26.0(10) . . . . ?
S1A C10 C12 C29 -23.9(11) . . . . ?
S1 C10 C12 C29 152.0(3) . . . . ?
C25 C10 C12 C21 156.4(9) . . . . ?
S1A C10 C12 C21 158.5(10) . . . . ?
S1 C10 C12 C21 -25.7(5) . . . . ?
O1 P1 C13 C26 -0.8(3) . . . . ?
C17 P1 C13 C26 -133.7(3) . . . . ?
C22 P1 C13 C26 130.3(3) . . . . ?
O1 P1 C13 C28 -177.5(3) . . . . ?
C17 P1 C13 C28 49.6(3) . . . . ?
C22 P1 C13 C28 -46.3(3) . . . . ?
F4 C15 C16 C22 -179.5(3) . . . . ?
C29 C15 C16 C22 0.8(5) . . . . ?
F4 C15 C16 C11 -0.1(6) . . . . ?
C29 C15 C16 C11 -179.8(3) . . . . ?
C20 C11 C16 C15 -0.7(6) . . . . ?
C17 C11 C16 C15 178.8(4) . . . . ?
C20 C11 C16 C22 178.7(4) . . . . ?
C17 C11 C16 C22 -1.8(4) . . . . ?
C20 C11 C17 C18 -0.1(5) . . . . ?
C16 C11 C17 C18 -179.7(3) . . . . ?
C20 C11 C17 P1 -178.4(3) . . . . ?
C16 C11 C17 P1 2.0(4) . . . . ?
O1 P1 C17 C18 -58.1(4) . . . . ?
C13 P1 C17 C18 72.8(3) . . . . ?
C22 P1 C17 C18 -179.5(3) . . . . ?
O1 P1 C17 C11 120.1(3) . . . . ?
C13 P1 C17 C11 -109.0(3) . . . . ?
C22 P1 C17 C11 -1.3(3) . . . . ?
C11 C17 C18 F2 -179.6(3) . . . . ?
P1 C17 C18 F2 -1.5(5) . . . . ?
C11 C17 C18 C19 -0.5(6) . . . . ?
P1 C17 C18 C19 177.6(3) . . . . ?
F2 C18 C19 C24 -179.6(3) . . . . ?
C17 C18 C19 C24 1.3(5) . . . . ?
F2 C18 C19 C8 0.3(5) . . . . ?
C17 C18 C19 C8 -178.8(4) . . . . ?
C9 C8 C19 C24 172.2(4) . . . . ?
S2A C8 C19 C24 -171.0(4) . . . . ?
S2 C8 C19 C24 2.8(6) . . . . ?
C9 C8 C19 C18 -7.7(7) . . . . ?
S2A C8 C19 C18 9.0(6) . . . . ?
S2 C8 C19 C18 -177.1(3) . . . . ?
C17 C11 C20 F6 -179.8(3) . . . . ?
C16 C11 C20 F6 -0.3(6) . . . . ?
C17 C11 C20 C24 -0.4(5) . . . . ?
C16 C11 C20 C24 179.2(3) . . . . ?
C29 C12 C21 F3 -178.4(3) . . . . ?
C10 C12 C21 F3 -0.5(5) . . . . ?
C29 C12 C21 C22 2.1(5) . . . . ?
C10 C12 C21 C22 -180.0(3) . . . . ?
F3 C21 C22 C16 179.9(3) . . . . ?
C12 C21 C22 C16 -0.7(5) . . . . ?
F3 C21 C22 P1 -1.4(5) . . . . ?
C12 C21 C22 P1 178.0(3) . . . . ?
C15 C16 C22 C21 -0.9(5) . . . . ?
C11 C16 C22 C21 179.6(3) . . . . ?
C15 C16 C22 P1 -179.7(3) . . . . ?
C11 C16 C22 P1 0.8(4) . . . . ?
O1 P1 C22 C21 59.9(4) . . . . ?
C13 P1 C22 C21 -69.3(3) . . . . ?
C17 P1 C22 C21 -178.5(3) . . . . ?
O1 P1 C22 C16 -121.3(2) . . . . ?
C13 P1 C22 C16 109.5(3) . . . . ?
C17 P1 C22 C16 0.3(3) . . . . ?
C10 C25 C23 C32 -0.2(13) . . . . ?
C10 C25 C23 S1A -170(7) . . . . ?
C10 S1A C23 C32 -4.0(15) . . . . ?
C10 S1A C23 C25 7(5) . . . . ?
C18 C19 C24 F8 178.9(3) . . . . ?
C8 C19 C24 F8 -1.0(6) . . . . ?
C18 C19 C24 C20 -1.8(6) . . . . ?
C8 C19 C24 C20 178.3(3) . . . . ?
F6 C20 C24 F8 0.2(5) . . . . ?
C11 C20 C24 F8 -179.2(3) . . . . ?
F6 C20 C24 C19 -179.1(3) . . . . ?
C11 C20 C24 C19 1.4(6) . . . . ?
C28 C13 C26 C27 0.9(5) . . . . ?
P1 C13 C26 C27 -175.8(3) . . . . ?
C13 C26 C27 C30 -0.1(6) . . . . ?
C30 C14 C28 C13 -0.5(5) . . . . ?
C26 C13 C28 C14 -0.6(5) . . . . ?
P1 C13 C28 C14 176.0(3) . . . . ?
C21 C12 C29 F5 176.7(3) . . . . ?
C10 C12 C29 F5 -1.1(5) . . . . ?
C21 C12 C29 C15 -2.2(5) . . . . ?
C10 C12 C29 C15 179.9(3) . . . . ?
F4 C15 C29 F5 2.2(5) . . . . ?
C16 C15 C29 F5 -178.1(3) . . . . ?
F4 C15 C29 C12 -178.8(3) . . . . ?
C16 C15 C29 C12 0.9(6) . . . . ?
C26 C27 C30 C14 -1.0(6) . . . . ?
C28 C14 C30 C27 1.3(6) . . . . ?
C25 C23 C32 S1 0.7(8) . . . . ?
S1A C23 C32 S1 3.5(11) . . . . ?
C10 S1 C32 C23 -0.7(3) . . . . ?
C8 S2 C33 C34 -1.1(5) . . . . ?
S2 C33 C34 C9 -6.6(7) . . . . ?
S2 C33 C34 S2A 8.5(8) . . . . ?
C8 C9 C34 C33 14.3(7) . . . . ?
C8 C9 C34 S2A -125.5(11) . . . . ?
C8 S2A C34 C33 -10.7(7) . . . . ?
C8 S2A C34 C9 36.0(8) . . . . ?
