#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/16/8101678.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_8101678
loop_
_publ_author_name
'F. Jafarpour'
'H. Pirelahi'
_publ_section_title
;
Crystal structure of syn-4-(p-trifluoromethylphenyl)-2,4,6-triphenyl-
4H-thiopyran-1-oxide, C₃₀H₂₁F₃OS
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              15
_journal_page_last               16
_journal_volume                  220
_journal_year                    2005
_chemical_formula_structural     'C30 H21 F3 O S'
_chemical_formula_sum            'C30 H21 F3 O S'
_chemical_formula_weight         486.53
_chemical_name_systematic
;
 syn-4-(p-trifluoromethylphenyl)-2,4,6-triphenyl-4H-thiopyran-1-oxide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           '      SHELXL-97'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.719(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.269(5)
_cell_length_b                   9.858(2)
_cell_length_c                   12.641(3)
_cell_measurement_reflns_used    679
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.06
_cell_measurement_theta_min      4
_cell_volume                     2406.0(10)
_computing_cell_refinement       'SAINTPlus (Bruker, 1998a) [11]'
_computing_data_collection       'SMART (Bruker, 1998b) [10]'
_computing_data_reduction        'SAINTPlus (Bruker, 1998a)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998b) [12]'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_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            37240
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    0.179
_exptl_absorpt_correction_T_max  0.669060
_exptl_absorpt_correction_T_min  0.635195
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998a) [9]'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.420
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         7012
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1351
_refine_ls_R_factor_gt           0.0809
_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)+(0.0029P)²+3.3068P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1398
_reflns_number_gt                3734
_reflns_number_total             7012
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1404.cff
_cod_data_source_block           91998b
_cod_original_cell_volume        2405.9(9)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               8101678
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.17902(5) 0.90702(8) 0.02110(6) 0.0667(2) Uani 1 4 e d . . .
O1 O 0.18425(13) 0.7581(2) 0.00500(18) 0.0776(7) Uani 1 4 e d . . .
C2 C 0.15104(16) 0.9310(3) 0.1420(2) 0.0554(7) Uani 1 4 e d . . .
C3 C 0.18184(16) 1.0167(3) 0.2226(2) 0.0573(7) Uani 1 4 e d . . .
H3 H 0.1637 1.0205 0.2819 0.069 Uiso 1 4 e calc R . .
C4 C 0.24240(16) 1.1087(3) 0.2306(2) 0.0587(7) Uani 1 4 e d . . .
C5 C 0.28391(17) 1.0617(3) 0.1567(3) 0.0666(8) Uani 1 4 e d . . .
H5 H 0.3276 1.1001 0.1705 0.080 Uiso 1 4 e calc R . .
C6 C 0.26599(17) 0.9733(3) 0.0753(3) 0.0637(8) Uani 1 4 e d . . .
C7 C 0.08755(16) 0.8539(3) 0.1371(2) 0.0537(7) Uani 1 4 e d . . .
C8 C 0.07937(16) 0.7952(3) 0.2324(2) 0.0573(7) Uani 1 4 e d . . .
H8 H 0.1136 0.8053 0.3003 0.069 Uiso 1 4 e calc R . .
C9 C 0.02005(17) 0.7219(3) 0.2254(2) 0.0682(9) Uani 1 4 e d . . .
H9 H 0.0145 0.6841 0.2896 0.082 Uiso 1 4 e calc R . .
C10 C -0.03090(18) 0.7037(3) 0.1259(2) 0.0680(8) Uani 1 4 e d . . .
H10 H -0.0699 0.6518 0.1223 0.082 Uiso 1 4 e calc R . .
C11 C -0.02339(19) 0.7636(3) 0.0312(2) 0.0717(9) Uani 1 4 e d . . .
H11 H -0.0578 0.7536 -0.0364 0.086 Uiso 1 4 e calc R . .
C12 C 0.03537(17) 0.8382(3) 0.0375(2) 0.0643(8) Uani 1 4 e d . . .
H12 H 0.0400 0.8787 -0.0263 0.077 Uiso 1 4 e calc R . .
C13 C 0.21065(16) 1.2505(3) 0.1964(2) 0.0559(7) Uani 1 4 e d . . .
C14 C 0.21797(16) 1.3215(3) 0.1063(2) 0.0622(8) Uani 1 4 e d . . .
H14 H 0.2452 1.2860 0.0656 0.075 Uiso 1 4 e calc R . .
C15 C 0.18517(17) 1.4450(3) 0.0760(2) 0.0658(8) Uani 1 4 e d . . .
H15 H 0.1918 1.4932 0.0168 0.079 Uiso 1 4 e calc R . .
C16 C 0.14295(17) 1.4968(3) 0.1329(2) 0.0651(8) Uani 1 4 e d . . .
H16 H 0.1196 1.5782 0.1108 0.078 Uiso 1 4 e calc R . .
C17 C 0.13537(16) 1.4270(3) 0.2232(2) 0.0617(8) Uani 1 4 e d . . .
H17 H 0.1071 1.4621 0.2623 0.074 Uiso 1 4 e calc R . .
C18 C 0.16924(16) 1.3062(3) 0.2558(2) 0.0583(7) Uani 1 4 e d . . .
H18 H 0.1646 1.2611 0.3178 0.070 Uiso 1 4 e calc R . .
C19 C 0.29330(16) 1.1094(3) 0.3485(3) 0.0619(8) Uani 1 4 e d . . .
C20 C 0.30365(17) 0.9922(3) 0.4130(3) 0.0755(9) Uani 1 4 e d . . .
H20 H 0.2766 0.9159 0.3867 0.091 Uiso 1 4 e calc R . .
C21 C 0.35363(19) 0.9881(4) 0.5155(3) 0.0948(13) Uani 1 4 e d . . .
H21 H 0.3600 0.9094 0.5580 0.114 Uiso 1 4 e calc R . .
C22 C 0.39374(18) 1.0999(5) 0.5548(3) 0.0953(13) Uani 1 4 e d . A .
C23 C 0.38375(17) 1.2180(4) 0.4940(3) 0.0807(10) Uani 1 4 e d . . .
H23 H 0.4103 1.2943 0.5220 0.097 Uiso 1 4 e calc R . .
C24 C 0.33372(17) 1.2229(3) 0.3906(3) 0.0683(8) Uani 1 4 e d . . .
H24 H 0.3272 1.3025 0.3492 0.082 Uiso 1 4 e calc R . .
C25 C 0.4479(3) 1.0915(7) 0.6647(5) 0.145(3) Uani 1 4 e d D . .
C26 C 0.3125(2) 0.9253(3) 0.0119(3) 0.0761(10) Uani 1 4 e d . . .
C27 C 0.2879(2) 0.9066(3) -0.1025(3) 0.0901(13) Uani 1 4 e d . . .
H27 H 0.2413 0.9207 -0.1408 0.108 Uiso 1 4 e calc R . .
C28 C 0.3343(3) 0.8663(4) -0.1596(4) 0.1165(18) Uani 1 4 e d . . .
H28 H 0.3189 0.8543 -0.2362 0.140 Uiso 1 4 e calc R . .
C29 C 0.4040(3) 0.8442(4) -0.1002(5) 0.132(2) Uani 1 4 e d . . .
H29 H 0.4347 0.8172 -0.1378 0.158 Uiso 1 4 e calc R . .
C30 C 0.4276(3) 0.8618(4) 0.0123(4) 0.1206(18) Uani 1 4 e d . . .
H30 H 0.4741 0.8469 0.0505 0.145 Uiso 1 4 e calc R . .
C31 C 0.3822(2) 0.9020(3) 0.0699(4) 0.0938(13) Uani 1 4 e d . . .
H31 H 0.3982 0.9132 0.1465 0.113 Uiso 1 4 e calc R . .
F1 F 0.4243(4) 1.0805(13) 0.7542(5) 0.149(5) Uani 0.480(9) 4 e d PD A 1
F2 F 0.5102(5) 1.0600(13) 0.6681(14) 0.151(6) Uani 0.480(9) 4 e d PD A 1
F3 F 0.4646(7) 1.2203(13) 0.6992(16) 0.189(8) Uani 0.480(9) 4 e d PD A 1
F1A F 0.4514(3) 0.9579(6) 0.7056(5) 0.117(3) Uani 0.520(9) 4 e d PD A 2
F2A F 0.5091(4) 1.0834(14) 0.6465(13) 0.169(6) Uani 0.520(9) 4 e d PD A 2
F3A F 0.4562(10) 1.1997(16) 0.7285(17) 0.248(12) Uani 0.520(9) 4 e d PD 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 0.0033 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'
S S 0.1246 0.1234 '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'
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 S1 C2 107.41(12) . . ?
O1 S1 C6 107.81(14) . . ?
C2 S1 C6 98.86(14) . . ?
C12 C7 C8 118.8(3) . . ?
C12 C7 C2 120.6(2) . . ?
C8 C7 C2 120.6(3) . . ?
C17 C18 C13 120.4(3) . . ?
C3 C2 C7 124.0(2) . . ?
C3 C2 S1 122.7(2) . . ?
C7 C2 S1 113.1(2) . . ?
C3 C4 C5 111.8(2) . . ?
C3 C4 C19 111.2(2) . . ?
C5 C4 C19 105.5(2) . . ?
C3 C4 C13 105.3(2) . . ?
C5 C4 C13 111.6(2) . . ?
C19 C4 C13 111.6(2) . . ?
C14 C13 C18 118.4(3) . . ?
C14 C13 C4 123.3(2) . . ?
C18 C13 C4 118.2(2) . . ?
C10 C9 C8 121.5(3) . . ?
C9 C8 C7 119.5(3) . . ?
C11 C12 C7 121.2(3) . . ?
C18 C17 C16 120.6(3) . . ?
C2 C3 C4 128.3(2) . . ?
C13 C14 C15 120.7(3) . . ?
C20 C19 C24 118.5(3) . . ?
C20 C19 C4 120.1(3) . . ?
C24 C19 C4 121.2(3) . . ?
C5 C6 C26 124.3(3) . . ?
C5 C6 S1 122.8(2) . . ?
C26 C6 S1 112.7(3) . . ?
C15 C16 C17 119.5(3) . . ?
C23 C24 C19 120.5(3) . . ?
C26 C27 C28 119.1(4) . . ?
C6 C5 C4 128.1(3) . . ?
C9 C10 C11 119.1(3) . . ?
C16 C15 C14 120.4(3) . . ?
C12 C11 C10 119.8(3) . . ?
C27 C26 C31 120.6(3) . . ?
C27 C26 C6 121.1(3) . . ?
C31 C26 C6 118.4(3) . . ?
C30 C31 C26 119.7(4) . . ?
C21 C20 C19 120.7(4) . . ?
C29 C30 C31 120.1(5) . . ?
C22 C21 C20 120.1(3) . . ?
C22 C23 C24 119.7(4) . . ?
C30 C29 C28 121.1(4) . . ?
C21 C22 C23 120.6(4) . . ?
C21 C22 C25 118.8(4) . . ?
C23 C22 C25 120.6(4) . . ?
C29 C28 C27 119.4(4) . . ?
F2 C25 F3A 103.5(12) . . ?
F2 C25 F2A 15.3(12) . . ?
F3A C25 F2A 101.7(12) . . ?
F2 C25 F3 93.9(8) . . ?
F3A C25 F3 21.4(19) . . ?
F2A C25 F3 87.5(10) . . ?
F2 C25 F1 122.8(9) . . ?
F3A C25 F1 64.4(11) . . ?
F2A C25 F1 136.2(9) . . ?
F3 C25 F1 85.7(11) . . ?
F2 C25 F1A 79.8(8) . . ?
F3A C25 F1A 123.4(12) . . ?
F2A C25 F1A 93.5(7) . . ?
F3 C25 F1A 141.3(10) . . ?
F1 C25 F1A 67.1(5) . . ?
F2 C25 C22 118.7(9) . . ?
F3A C25 C22 116.6(11) . . ?
F2A C25 C22 107.6(7) . . ?
F3 C25 C22 106.9(8) . . ?
F1 C25 C22 115.8(5) . . ?
F1A C25 C22 109.6(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
S1 O1 1.491(2) . ?
S1 C2 1.800(3) . ?
S1 C6 1.808(3) . ?
C7 C12 1.384(4) . ?
C7 C8 1.391(3) . ?
C7 C2 1.480(4) . ?
C18 C17 1.374(4) . ?
C18 C13 1.398(3) . ?
C2 C3 1.325(4) . ?
C4 C3 1.505(4) . ?
C4 C5 1.508(4) . ?
C4 C19 1.533(4) . ?
C4 C13 1.545(4) . ?
C13 C14 1.383(4) . ?
C9 C10 1.375(4) . ?
C9 C8 1.382(4) . ?
C12 C11 1.382(4) . ?
C17 C16 1.381(4) . ?
C14 C15 1.384(4) . ?
C19 C20 1.392(4) . ?
C19 C24 1.393(4) . ?
C6 C5 1.313(4) . ?
C6 C26 1.488(4) . ?
C16 C15 1.373(4) . ?
C24 C23 1.390(4) . ?
C27 C26 1.392(5) . ?
C27 C28 1.408(5) . ?
C10 C11 1.384(4) . ?
C26 C31 1.399(5) . ?
C31 C30 1.393(5) . ?
C20 C21 1.382(5) . ?
C30 C29 1.366(7) . ?
C21 C22 1.369(6) . ?
C23 C22 1.375(5) . ?
C29 C28 1.400(7) . ?
C22 C25 1.488(6) . ?
C25 F2 1.290(8) . ?
C25 F3A 1.316(9) . ?
C25 F2A 1.332(8) . ?
C25 F3 1.351(9) . ?
C25 F1 1.359(7) . ?
C25 F1A 1.409(6) . ?
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 C7 C2 C3 138.8(3) . . . . ?
C8 C7 C2 C3 -41.5(4) . . . . ?
C12 C7 C2 S1 -36.7(3) . . . . ?
C8 C7 C2 S1 143.0(2) . . . . ?
O1 S1 C2 C3 131.8(2) . . . . ?
C6 S1 C2 C3 19.9(3) . . . . ?
O1 S1 C2 C7 -52.7(2) . . . . ?
C6 S1 C2 C7 -164.62(19) . . . . ?
C17 C18 C13 C14 1.6(5) . . . . ?
C17 C18 C13 C4 -174.8(3) . . . . ?
C3 C4 C13 C14 -119.3(3) . . . . ?
C5 C4 C13 C14 2.2(4) . . . . ?
C19 C4 C13 C14 119.9(3) . . . . ?
C3 C4 C13 C18 57.0(3) . . . . ?
C5 C4 C13 C18 178.5(3) . . . . ?
C19 C4 C13 C18 -63.8(3) . . . . ?
C10 C9 C8 C7 1.0(5) . . . . ?
C12 C7 C8 C9 0.7(4) . . . . ?
C2 C7 C8 C9 -179.0(3) . . . . ?
C8 C7 C12 C11 -1.4(4) . . . . ?
C2 C7 C12 C11 178.3(3) . . . . ?
C13 C18 C17 C16 -1.5(5) . . . . ?
C7 C2 C3 C4 -174.1(3) . . . . ?
S1 C2 C3 C4 0.9(4) . . . . ?
C5 C4 C3 C2 -20.8(4) . . . . ?
C19 C4 C3 C2 -138.4(3) . . . . ?
C13 C4 C3 C2 100.6(3) . . . . ?
C18 C13 C14 C15 0.2(5) . . . . ?
C4 C13 C14 C15 176.4(3) . . . . ?
C3 C4 C19 C20 34.1(4) . . . . ?
C5 C4 C19 C20 -87.3(3) . . . . ?
C13 C4 C19 C20 151.4(3) . . . . ?
C3 C4 C19 C24 -150.7(3) . . . . ?
C5 C4 C19 C24 88.0(3) . . . . ?
C13 C4 C19 C24 -33.4(4) . . . . ?
O1 S1 C6 C5 -136.6(3) . . . . ?
C2 S1 C6 C5 -25.0(3) . . . . ?
O1 S1 C6 C26 48.0(2) . . . . ?
C2 S1 C6 C26 159.6(2) . . . . ?
C18 C17 C16 C15 -0.5(5) . . . . ?
C20 C19 C24 C23 0.8(4) . . . . ?
C4 C19 C24 C23 -174.6(3) . . . . ?
C26 C6 C5 C4 -175.2(3) . . . . ?
S1 C6 C5 C4 9.8(5) . . . . ?
C3 C4 C5 C6 14.9(4) . . . . ?
C19 C4 C5 C6 135.9(3) . . . . ?
C13 C4 C5 C6 -102.8(4) . . . . ?
C8 C9 C10 C11 -1.9(5) . . . . ?
C17 C16 C15 C14 2.3(5) . . . . ?
C13 C14 C15 C16 -2.2(5) . . . . ?
C7 C12 C11 C10 0.4(5) . . . . ?
C9 C10 C11 C12 1.2(5) . . . . ?
C28 C27 C26 C31 -1.1(5) . . . . ?
C28 C27 C26 C6 177.5(3) . . . . ?
C5 C6 C26 C27 -139.5(3) . . . . ?
S1 C6 C26 C27 35.9(4) . . . . ?
C5 C6 C26 C31 39.1(4) . . . . ?
S1 C6 C26 C31 -145.5(3) . . . . ?
C27 C26 C31 C30 1.0(5) . . . . ?
C6 C26 C31 C30 -177.6(3) . . . . ?
C24 C19 C20 C21 -1.0(5) . . . . ?
C4 C19 C20 C21 174.4(3) . . . . ?
C26 C31 C30 C29 -0.5(6) . . . . ?
C19 C20 C21 C22 -0.1(6) . . . . ?
C19 C24 C23 C22 0.5(5) . . . . ?
C31 C30 C29 C28 0.1(7) . . . . ?
C20 C21 C22 C23 1.5(6) . . . . ?
C20 C21 C22 C25 -179.0(4) . . . . ?
C24 C23 C22 C21 -1.7(6) . . . . ?
C24 C23 C22 C25 178.9(4) . . . . ?
C30 C29 C28 C27 -0.2(7) . . . . ?
C26 C27 C28 C29 0.7(6) . . . . ?
C21 C22 C25 F2 94.1(9) . . . . ?
C23 C22 C25 F2 -86.5(10) . . . . ?
C21 C22 C25 F3A -141.0(13) . . . . ?
C23 C22 C25 F3A 38.4(14) . . . . ?
C21 C22 C25 F2A 105.6(8) . . . . ?
C23 C22 C25 F2A -74.9(9) . . . . ?
C21 C22 C25 F3 -161.6(9) . . . . ?
C23 C22 C25 F3 17.8(10) . . . . ?
C21 C22 C25 F1 -68.2(9) . . . . ?
C23 C22 C25 F1 111.3(7) . . . . ?
C21 C22 C25 F1A 5.2(6) . . . . ?
C23 C22 C25 F1A -175.3(5) . . . . ?
