#------------------------------------------------------------------------------
#$Date: 2025-12-10 03:06:51 +0100 (Wed 10 de Dec de 2025) $
#$Revision: 304161 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/41/7064190.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_7064190
loop_
_publ_author_name
'Sokolov, Vladislav A.'
'Bakulina, Olga'
'Boyarskaya, Irina A.'
'Spiridonova, Dar'ya V.'
'Kryukova, Mariya A.'
'Vasilyev, Aleksander'
_publ_section_title
;
 Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular
 reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various
 nucleophiles in CF3SO3H
;
_journal_name_full               'New Journal of Chemistry'
_journal_paper_doi               10.1039/D5NJ03928B
_journal_year                    2026
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C11 H8 Cl3 F3 O'
_chemical_formula_sum            'C11 H8 Cl3 F3 O'
_chemical_formula_weight         319.52
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-10-04
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2025-09-26 deposited with the CCDC.	2025-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.76450(10)
_cell_length_b                   12.1514(2)
_cell_length_c                   18.0507(2)
_cell_measurement_reflns_used    5075
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      69.0550
_cell_measurement_theta_min      4.3730
_cell_volume                     1264.39(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -21.00  30.00   0.50    0.20    --  -35.49  59.00-113.00  102
  2  ω    -37.00  25.00   0.50    0.20    --  -35.49  80.00 110.00  124
  3  ω    -42.00 -17.00   0.50    0.20    --  -35.49  84.00   0.00   50
  4  ω     15.00  59.00   0.50    0.20    --   35.49 -59.00 106.00   88
  5  ω    -26.00   3.00   0.50    0.20    --   35.49 -59.00 106.00   58
  6  ω     36.00  63.00   0.50    0.20    --   35.49 -84.00-119.00   54
  7  ω    -16.00  22.00   0.50    0.20    --   35.49 -80.00 -12.00   76
  8  ω    107.00 140.00   0.50    0.80    --  100.00  59.00-113.00   66
  9  ω     55.00  80.00   0.50    0.80    --  100.00 -80.00 -12.00   50
 10  ω     96.00 121.00   0.50    0.80    --  100.00 -59.00 106.00   50
 11  ω     90.00 130.00   0.50    0.80    --  100.00  80.00 110.00   80
 12  ω     95.00 121.00   0.50    0.80    --  100.00 -84.00-119.00   52
 13  ω     36.00  69.00   0.50    0.80    --  100.00 -84.00-119.00   66
 14  ω    -81.00 -56.00   0.50    0.20    --  -35.49 -59.00 106.00   50
 15  ω     33.00  58.00   0.50    0.20    --   35.49  59.00-113.00   50
 16  ω     15.00  40.00   0.50    0.20    --   35.49-138.00-120.00   50
 17  ω    -11.00  51.00   0.50    0.20    --   35.49-104.00 -30.00  124
 18  ω     14.00  40.00   0.50    0.20    --   35.49 -43.00 -90.00   52
 19  ω    118.00 146.00   0.50    0.80    --  100.00 107.00-120.00   56
 20  ω    117.00 150.00   0.50    0.80    --  100.00 107.00 -30.00   66
 21  ω    108.00 157.00   0.50    0.80    --  100.00  77.00 -30.00   98
 22  ω     86.00 111.00   0.50    0.80    --  100.00  30.00 -90.00   50
 23  ω     83.00 109.00   0.50    0.80    --  100.00 107.00 -30.00   52
 24  ω    120.00 156.00   0.50    0.80    --  100.00  30.00 -90.00   72
 25  ω     30.00 105.00   0.50    0.80    --  100.00 -37.00 -90.00  150
 26  ω     93.00 157.00   0.50    0.80    --  100.00  77.00-180.00  128
 27  ω     92.00 117.00   0.50    0.80    --  100.00 107.00-180.00   50
 28  ω    100.00 153.00   0.50    0.80    --  100.00  77.00 -90.00  106
 29  ω     99.00 157.00   0.50    0.80    --  100.00  91.00 -60.00  116
 30  ω     79.00 104.00   0.50    0.80    --  100.00 -80.00 -12.00   50
 31  ω    -81.00 -34.00   0.50    0.20    --  -35.49 -43.00  30.00   94
 32  ω     63.00  88.00   0.50    0.20    --   35.49-138.00-180.00   50
 33  ω     76.00 102.00   0.50    0.80    --  100.00-107.00 120.00   52
 34  ω     79.00 116.00   0.50    0.80    --  100.00  53.00-150.00   74
 35  ω     38.00  64.00   0.50    0.80    --  100.00-107.00   0.00   52
 36  ω     75.00 107.00   0.50    0.80    --  100.00-107.00   0.00   64
 37  ω     82.00 111.00   0.50    0.80    --  100.00-125.00 120.00   58
 38  ω     31.00  56.00   0.50    0.80    --  100.00-125.00 120.00   50
 39  ω     91.00 120.00   0.50    0.80    --  100.00  37.00  60.00   58
 40  ω     94.00 130.00   0.50    0.80    --  100.00  53.00 -90.00   72
 41  ω     28.00  59.00   0.50    0.80    --  100.00-107.00 120.00   62
 42  ω     32.00  58.00   0.50    0.80    --  100.00-125.00-120.00   52
 43  ω     83.00 110.00   0.50    0.80    --  100.00-125.00-120.00   54
 44  ω     30.00  56.00   0.50    0.80    --  100.00 -30.00  60.00   52
 45  ω     90.00 116.00   0.50    0.80    --  100.00 -30.00  60.00   52
 46  ω    105.00 130.00   0.50    0.80    --  100.00  91.00-180.00   50
 47  ω    119.00 153.00   0.50    0.80    --  100.00  77.00 150.00   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1869213000
_diffrn_orient_matrix_UB_12      -0.0713865000
_diffrn_orient_matrix_UB_13      0.0375775000
_diffrn_orient_matrix_UB_21      -0.0111555000
_diffrn_orient_matrix_UB_22      -0.0820158000
_diffrn_orient_matrix_UB_23      -0.0649725000
_diffrn_orient_matrix_UB_31      0.1907428000
_diffrn_orient_matrix_UB_32      0.0651854000
_diffrn_orient_matrix_UB_33      -0.0406052000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6418
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.075
_diffrn_reflns_theta_min         4.386
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.806
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.104a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_description       prism
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.549
_refine_diff_density_min         -0.333
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details
;
 Flack x determined using 937 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.000(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2348
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0292
_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)+(0.0356P)²+0.8616P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0737
_reflns_Friedel_coverage         0.689
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                2312
_reflns_number_total             2348
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj03928b2.cif
_cod_data_source_block           25718_skm220
_cod_database_code               7064190
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C11 H8 Cl3 F3 O'
_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_max   0.647
_shelx_estimated_absorpt_t_min   0.409
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(F2) = Uanis(F2')
Uanis(F1') = Uanis(F1)
Uanis(F3) = Uanis(F3')
3. Others
 Sof(F1')=Sof(F2')=Sof(F3')=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B)
4.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C9(H9), C10(H10)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.881
_oxdiff_exptl_absorpt_empirical_full_min 0.636
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
Cl1 Cl 0.62834(14) 1.16414(6) 0.47285(5) 0.0278(2) Uani 1 1 d . . . . .
Cl2 Cl 0.18025(13) 1.08173(7) 0.43093(5) 0.0290(2) Uani 1 1 d . . . . .
Cl3 Cl 0.55432(17) 1.08570(7) 0.32453(4) 0.0338(2) Uani 1 1 d . . . . .
F1 F 0.106(5) 0.275(2) 0.325(2) 0.0744(13) Uani 0.111(4) 1 d . . P A 1
F1' F 0.2144(5) 0.3007(3) 0.2575(2) 0.0744(13) Uani 0.889(4) 1 d . . P A 2
F2 F 0.076(7) 0.380(2) 0.215(2) 0.0845(18) Uani 0.111(4) 1 d . . P A 1
F2' F -0.0946(9) 0.3946(2) 0.2430(3) 0.0845(18) Uani 0.889(4) 1 d . . P A 2
F3 F -0.134(7) 0.357(3) 0.2922(18) 0.0781(14) Uani 0.111(4) 1 d . . P A 1
F3' F -0.0431(9) 0.3062(3) 0.3397(2) 0.0781(14) Uani 0.889(4) 1 d . . P A 2
O1 O 0.7152(4) 0.7320(2) 0.44978(13) 0.0260(5) Uani 1 1 d . . . . .
C1 C 0.4839(6) 1.0621(3) 0.41902(17) 0.0215(6) Uani 1 1 d . . . . .
C2 C 0.5595(6) 0.9480(2) 0.44321(17) 0.0220(6) Uani 1 1 d . . . . .
H2A H 0.533698 0.940404 0.497192 0.026 Uiso 1 1 calc R U . . .
H2B H 0.727865 0.939739 0.433893 0.026 Uiso 1 1 calc R U . . .
C3 C 0.4303(6) 0.8563(2) 0.40322(16) 0.0209(6) Uani 1 1 d . . . . .
H3A H 0.266234 0.856430 0.419443 0.025 Uiso 1 1 calc R U . . .
H3B H 0.432997 0.871050 0.349291 0.025 Uiso 1 1 calc R U . . .
C4 C 0.5327(6) 0.7443(3) 0.41747(16) 0.0205(6) Uani 1 1 d . . . . .
C5 C 0.4039(6) 0.6468(2) 0.38635(16) 0.0188(6) Uani 1 1 d . . . . .
C6 C 0.1905(6) 0.6580(3) 0.35085(17) 0.0212(6) Uani 1 1 d . . . . .
H6 H 0.119419 0.728395 0.347580 0.025 Uiso 1 1 calc R U . . .
C7 C 0.0812(6) 0.5669(3) 0.32024(17) 0.0222(6) Uani 1 1 d . . . . .
H7 H -0.064000 0.574881 0.295942 0.027 Uiso 1 1 calc R U . . .
C8 C 0.1850(6) 0.4644(3) 0.32531(18) 0.0233(7) Uani 1 1 d . . . . .
C9 C 0.3963(6) 0.4511(3) 0.36210(18) 0.0243(7) Uani 1 1 d . . . . .
H9 H 0.464715 0.380251 0.366389 0.029 Uiso 1 1 calc R U . . .
C10 C 0.5048(6) 0.5423(3) 0.39221(17) 0.0224(7) Uani 1 1 d . . . . .
H10 H 0.649013 0.533902 0.417069 0.027 Uiso 1 1 calc R U . . .
C11 C 0.0711(7) 0.3668(3) 0.2908(2) 0.0290(8) Uani 1 1 d . . . . .
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
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
Cl2 C1 Cl1 107.47(17) . . ?
Cl3 C1 Cl1 107.72(17) . . ?
Cl3 C1 Cl2 108.59(17) . . ?
C2 C1 Cl1 110.2(2) . . ?
C2 C1 Cl2 111.7(2) . . ?
C2 C1 Cl3 111.0(2) . . ?
C1 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
C1 C2 C3 113.1(3) . . ?
H2A C2 H2B 107.8 . . ?
C3 C2 H2A 109.0 . . ?
C3 C2 H2B 109.0 . . ?
C2 C3 H3A 109.0 . . ?
C2 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C4 C3 C2 112.9(3) . . ?
C4 C3 H3A 109.0 . . ?
C4 C3 H3B 109.0 . . ?
O1 C4 C3 122.3(3) . . ?
O1 C4 C5 120.7(3) . . ?
C3 C4 C5 117.0(3) . . ?
C6 C5 C4 121.9(3) . . ?
C6 C5 C10 119.3(3) . . ?
C10 C5 C4 118.7(3) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.3(3) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 120.2 . . ?
C8 C7 C6 119.7(3) . . ?
C8 C7 H7 120.2 . . ?
C7 C8 C9 120.8(3) . . ?
C7 C8 C11 119.9(3) . . ?
C9 C8 C11 119.3(3) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 C8 119.2(3) . . ?
C10 C9 H9 120.4 . . ?
C5 C10 H10 119.7 . . ?
C9 C10 C5 120.6(3) . . ?
C9 C10 H10 119.7 . . ?
F1 C11 F2 124.5(18) . . ?
F1 C11 C8 114.9(12) . . ?
F1' C11 F2' 108.2(4) . . ?
F1' C11 F3' 106.3(4) . . ?
F1' C11 C8 113.9(3) . . ?
F2 C11 C8 108.4(12) . . ?
F2' C11 C8 112.6(3) . . ?
F3 C11 F1 93(2) . . ?
F3 C11 F2 93(2) . . ?
F3 C11 C8 120.6(16) . . ?
F3' C11 F2' 102.5(4) . . ?
F3' C11 C8 112.5(3) . . ?
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
Cl1 C1 1.782(3) . ?
Cl2 C1 1.780(3) . ?
Cl3 C1 1.777(3) . ?
F1 C11 1.28(4) . ?
F1' C11 1.300(5) . ?
F2 C11 1.39(4) . ?
F2' C11 1.331(5) . ?
F3 C11 1.19(4) . ?
F3' C11 1.324(5) . ?
O1 C4 1.212(4) . ?
C1 C2 1.517(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.522(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.506(4) . ?
C4 C5 1.507(4) . ?
C5 C6 1.394(4) . ?
C5 C10 1.401(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.385(5) . ?
C8 C9 1.397(5) . ?
C8 C11 1.493(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.383(5) . ?
C10 H10 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
Cl1 C1 C2 C3 176.0(2) . . . . ?
Cl2 C1 C2 C3 56.6(3) . . . . ?
Cl3 C1 C2 C3 -64.8(3) . . . . ?
O1 C4 C5 C6 178.1(3) . . . . ?
O1 C4 C5 C10 -3.2(4) . . . . ?
C1 C2 C3 C4 170.2(3) . . . . ?
C2 C3 C4 O1 -8.6(4) . . . . ?
C2 C3 C4 C5 174.3(3) . . . . ?
C3 C4 C5 C6 -4.8(4) . . . . ?
C3 C4 C5 C10 173.9(3) . . . . ?
C4 C5 C6 C7 177.4(3) . . . . ?
C4 C5 C10 C9 -177.7(3) . . . . ?
C5 C6 C7 C8 0.2(5) . . . . ?
C6 C5 C10 C9 1.1(5) . . . . ?
C6 C7 C8 C9 1.2(5) . . . . ?
C6 C7 C8 C11 -178.4(3) . . . . ?
C7 C8 C9 C10 -1.5(5) . . . . ?
C7 C8 C11 F1 -148.1(16) . . . . ?
C7 C8 C11 F1' 139.0(4) . . . . ?
C7 C8 C11 F2 67.5(18) . . . . ?
C7 C8 C11 F2' 15.3(5) . . . . ?
C7 C8 C11 F3 -38(2) . . . . ?
C7 C8 C11 F3' -99.9(4) . . . . ?
C8 C9 C10 C5 0.4(5) . . . . ?
C9 C8 C11 F1 32.2(16) . . . . ?
C9 C8 C11 F1' -40.7(5) . . . . ?
C9 C8 C11 F2 -112.2(17) . . . . ?
C9 C8 C11 F2' -164.4(4) . . . . ?
C9 C8 C11 F3 143(2) . . . . ?
C9 C8 C11 F3' 80.4(5) . . . . ?
C10 C5 C6 C7 -1.3(4) . . . . ?
C11 C8 C9 C10 178.2(3) . . . . ?
