#------------------------------------------------------------------------------
#$Date: 2026-06-05 20:48:54 +0200 (Fri 05 de Jun de 2026) $
#$Revision: 306363 $
#$URL: svn://www.crystallography.net/cod/cif/7/25/19/7251911.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_7251911
loop_
_publ_author_name
'Yamamoto, Hikaru'
'Tsubakihara, Yoshichika'
'Sato-Tomita, Ayana'
'Jin, Mingoo'
_publ_section_title
;
 Stepwise introduction of dipole blades into triptycenes: opening the
 variety of crystalline molecular packing modes
;
_journal_issue                   20
_journal_name_full               CrystEngComm
_journal_page_first              3166
_journal_page_last               3170
_journal_paper_doi               10.1039/D6CE00126B
_journal_volume                  28
_journal_year                    2026
_chemical_formula_moiety         'C24 H10 F4'
_chemical_formula_sum            'C24 H10 F4'
_chemical_formula_weight         374.32
_space_group_crystal_system      tetragonal
_space_group_IT_number           76
_space_group_name_Hall           'P 4w'
_space_group_name_H-M_alt        'P 41'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2026-03-23
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2026-04-09 deposited with the CCDC.	2026-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.4142(6)
_cell_length_b                   13.4142(6)
_cell_length_c                   9.5889(7)
_cell_measurement_reflns_used    5444
_cell_measurement_temperature    153
_cell_measurement_theta_max      74.6070
_cell_measurement_theta_min      3.2460
_cell_volume                     1725.43(17)
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      153
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     33.00 119.00   0.50    2.65    --   48.41  65.00 117.00  172
  2  ω     82.00 174.00   0.50    2.65    --  102.75  77.00  60.00  184
  3  ω     95.00 175.00   0.50    2.65    --  102.75  19.00  60.00  160
  4  ω     90.00 174.00   0.50    2.65    --  102.75  57.00 150.00  168
  5  ω     41.00 120.00   0.50    2.65    --   48.41  37.00  60.00  158
  6  ω     31.00  84.00   0.50    2.65    --  102.75 -65.00 -17.00  106
  7  ω     31.00  69.00   0.50    2.65    --  102.75 -57.00   0.00   76
  8  ω     31.00  69.00   0.50    2.65    --  102.75 -57.00-120.00   76
  9  ω     31.00  80.00   0.50    2.65    --  102.75 -63.00-161.00   98
 10  ω     31.00 111.00   0.50    2.65    --  102.75-125.00-150.00  160
 11  ω     36.00 119.00   0.50    2.65    --   48.41  57.00-120.00  166
 12  ω     28.00 119.00   0.50    2.65    --   48.41  77.00 -60.00  182
 13  ω     31.00  69.00   0.50    2.65    --  102.75 -57.00 150.00   76
 14  ω    -24.00  18.00   0.50    2.65    --   48.41 -19.00 -30.00   84
 15  ω    -24.00  18.00   0.50    2.65    --   48.41 -19.00-150.00   84
 16  ω    -14.00  25.00   0.50    2.65    --  -48.41  19.00-180.00   78
 17  ω    -76.00 -30.00   0.50    2.65    -- -102.00  63.00 -24.00   92
 18  ω    -65.00 -30.00   0.50    2.65    -- -102.00  57.00  90.00   70
 19  ω    -80.00 -30.00   0.50    2.65    -- -102.00  65.00 117.00  100
 20  ω   -174.00 -86.00   0.50    2.65    -- -102.00 -98.00 104.00  176
 21  ω   -119.00 -74.00   0.50    2.65    --  -48.41-125.00 -30.00   90
 22  ω   -119.00 -74.00   0.50    2.65    --  -48.41-125.00-120.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1004382000
_diffrn_orient_matrix_UB_12      -0.0556949000
_diffrn_orient_matrix_UB_13      -0.0079825000
_diffrn_orient_matrix_UB_21      -0.0412545000
_diffrn_orient_matrix_UB_22      -0.0669678000
_diffrn_orient_matrix_UB_23      -0.1166527000
_diffrn_orient_matrix_UB_31      0.0374546000
_diffrn_orient_matrix_UB_32      0.0748512000
_diffrn_orient_matrix_UB_33      -0.1101632000
_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  0.0609
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            16038
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.969
_diffrn_reflns_theta_min         3.295
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.964
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73775
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.239
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.039
_refine_ls_abs_structure_details
;
 Flack x determined using 1094 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.06(15)
_refine_ls_extinction_coef       0.0039(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3500
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0524
_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)+(0.0679P)²+0.4161P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1341
_reflns_Friedel_coverage         0.865
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.943
_reflns_number_gt                2917
_reflns_number_total             3500
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6ce00126b2.cif
_cod_data_source_block           1cP41
_cod_depositor_comments
'Adding full bibliography for 7251910--7251913.cif.'
_cod_original_cell_volume        1725.4(2)
_cod_database_code               7251911
_shelx_shelxl_version_number     2018/1
_chemical_oxdiff_formula         'H C F'
_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   0.953
_shelx_estimated_absorpt_t_min   0.953
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C00G-F003
 1.35 with sigma of 0.02
 C009-F001
 1.35 with sigma of 0.02
 C00N-F004
 1.35 with sigma of 0.02
 C00R-F1
 1.35 with sigma of 0.002
 C00P-F2
 1.35 with sigma of 0.002
3. Others
 Fixed Sof: F001(0.9) F002(0.9) F003(0.9) F004(0.9) H009(0.1) H00B(0.1)
 H00G(0.1) H00N(0.1) H00P(0.8) H00R(0.8) F1(0.2) F2(0.2)
4.a Aromatic/amide H refined with riding coordinates:
 C006(H006), C009(H009), C00B(H00B), C00F(H00F), C00G(H00G), C00J(H00J),
 C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P), C00R(H00R)
4.b :
 C00Q(H00Q), C00S(H00S)
;
_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 1.476
_oxdiff_exptl_absorpt_empirical_full_min 0.661
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+1/4'
'y, -x, z+3/4'
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
F001 F 0.7326(2) 0.43876(19) 0.7387(3) 0.0531(7) Uani 0.9 1 d D . P A 2
F002 F 0.8843(2) 0.9787(2) 0.2551(4) 0.0611(8) Uani 0.9 1 d . . P B 3
F003 F 0.8471(2) 0.5542(2) 0.9013(4) 0.0622(8) Uani 0.9 1 d D . P C 2
F004 F 0.7705(3) 0.8609(3) 0.0954(3) 0.0675(9) Uani 0.9 1 d D . P D 3
C005 C 0.7299(3) 0.8642(3) 0.5161(5) 0.0398(9) Uani 1 1 d . . . . .
C006 C 0.6629(3) 0.5792(3) 0.6298(5) 0.0419(9) Uani 1 1 d . . . . .
H006 H 0.622324 0.538248 0.572276 0.050 Uiso 1 1 calc R U . . .
C007 C 0.6595(3) 0.6820(3) 0.6192(4) 0.0390(8) Uani 1 1 d . . . . .
C008 C 0.5963(3) 0.8749(3) 0.6901(5) 0.0465(10) Uani 1 1 d . . . . .
C009 C 0.7273(3) 0.5379(3) 0.7264(5) 0.0427(9) Uani 1 1 d D . . . .
H009 H 0.730866 0.467504 0.735960 0.051 Uiso 0.1 1 calc R U P A 1
C00A C 0.7199(3) 0.7417(3) 0.7022(4) 0.0406(9) Uani 1 1 d . . . . .
C00B C 0.8132(3) 0.9223(3) 0.3145(5) 0.0484(11) Uani 1 1 d . . . . .
H00B H 0.862851 0.962592 0.271991 0.058 Uiso 0.1 1 calc R U P B 4
C00C C 0.7083(3) 0.8543(3) 0.6733(5) 0.0436(9) Uani 1 1 d . . . . .
C00D C 0.6711(3) 0.8039(3) 0.4320(4) 0.0401(9) Uani 1 1 d . . . . .
C00E C 0.5359(3) 0.8163(3) 0.6044(5) 0.0438(9) Uani 1 1 d . . . . .
C00F C 0.6821(3) 0.8029(3) 0.2887(5) 0.0452(10) Uani 1 1 d . . . . .
H00F H 0.640779 0.762646 0.231329 0.054 Uiso 1 1 calc R U . . .
C00G C 0.7861(3) 0.5977(3) 0.8087(5) 0.0484(11) Uani 1 1 d D . . . .
H00G H 0.829437 0.567462 0.874629 0.058 Uiso 0.1 1 calc R U P C 1
C00H C 0.5318(3) 0.6791(3) 0.4257(5) 0.0471(10) Uani 1 1 d . . . . .
C00I C 0.5953(3) 0.7411(3) 0.5149(5) 0.0408(9) Uani 1 1 d . . . . .
C00J C 0.7841(3) 0.6992(3) 0.7987(5) 0.0466(10) Uani 1 1 d . . . . .
H00J H 0.825444 0.739423 0.856132 0.056 Uiso 1 1 calc R U . . .
C00K C 0.7733(4) 0.9171(3) 0.7565(5) 0.0514(11) Uani 1 1 d . . . . .
C00L C 0.4340(3) 0.8267(4) 0.6047(6) 0.0529(11) Uani 1 1 d . . . . .
H00L H 0.392982 0.788314 0.544480 0.063 Uiso 1 1 calc R U . . .
C00M C 0.8016(3) 0.9260(3) 0.4574(5) 0.0448(10) Uani 1 1 d . . . . .
H00M H 0.841123 0.969109 0.513353 0.054 Uiso 1 1 calc R U . . .
C00N C 0.7554(4) 0.8626(3) 0.2323(5) 0.0493(11) Uani 1 1 d D . . . .
H00N H 0.765892 0.862144 0.134297 0.059 Uiso 0.1 1 calc R U P D 4
C00O C 0.5540(4) 0.9423(3) 0.7817(5) 0.0538(11) Uani 1 1 d . . . . .
H00O H 0.594128 0.981864 0.841736 0.065 Uiso 1 1 calc R U . . .
C00P C 0.3936(4) 0.8956(4) 0.6965(6) 0.0629(14) Uani 1 1 d D . . . .
H00P H 0.323373 0.904482 0.698338 0.076 Uiso 0.8 1 calc R U P E 2
C00Q C 0.4806(4) 0.6309(4) 0.3529(6) 0.0608(13) Uani 1 1 d . . . . .
H00Q H 0.439133 0.591860 0.293900 0.073 Uiso 1 1 calc R U . . .
C00R C 0.4503(4) 0.9502(4) 0.7828(5) 0.0616(13) Uani 1 1 d D . . . .
H00R H 0.419266 0.995090 0.845968 0.074 Uiso 0.8 1 calc R U P F 2
C00S C 0.8275(4) 0.9691(4) 0.8226(6) 0.0648(14) Uani 1 1 d . . . . .
H00S H 0.870778 1.010615 0.875268 0.078 Uiso 1 1 calc R U . . .
F1 F 0.4240(12) 1.0120(10) 0.8871(13) 0.078(5) Uani 0.2 1 d D . P G 1
F2 F 0.2937(4) 0.9027(10) 0.6931(18) 0.070(4) Uani 0.2 1 d D . P H 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
F F 0.0727 0.0534 '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
C00D C005 C00C 114.3(3) . . ?
C00D C005 C00M 120.4(4) . . ?
C00M C005 C00C 125.3(4) . . ?
C007 C006 H006 121.0 . . ?
C009 C006 H006 121.0 . . ?
C009 C006 C007 118.0(4) . . ?
C006 C007 C00A 120.8(4) . . ?
C006 C007 C00I 125.4(4) . . ?
C00A C007 C00I 113.7(3) . . ?
C00E C008 C00C 113.9(4) . . ?
C00O C008 C00C 125.9(4) . . ?
C00O C008 C00E 120.2(4) . . ?
F001 C009 C006 119.5(4) . . ?
F001 C009 C00G 119.9(4) . . ?
C006 C009 H009 119.7 . . ?
C00G C009 C006 120.6(4) . . ?
C00G C009 H009 119.7 . . ?
C007 C00A C00C 113.7(4) . . ?
C00J C00A C007 120.5(4) . . ?
C00J C00A C00C 125.8(4) . . ?
F002 C00B C00M 118.7(4) . . ?
F002 C00B C00N 119.3(4) . . ?
C00M C00B H00B 119.0 . . ?
C00N C00B H00B 119.0 . . ?
C00N C00B C00M 122.1(4) . . ?
C005 C00C C00A 104.0(3) . . ?
C008 C00C C005 105.7(4) . . ?
C008 C00C C00A 104.9(3) . . ?
C00K C00C C005 112.0(4) . . ?
C00K C00C C008 115.2(4) . . ?
C00K C00C C00A 114.1(4) . . ?
C005 C00D C00I 113.2(4) . . ?
C00F C00D C005 121.5(4) . . ?
C00F C00D C00I 125.3(4) . . ?
C008 C00E C00I 113.3(4) . . ?
C00L C00E C008 121.3(4) . . ?
C00L C00E C00I 125.4(4) . . ?
C00D C00F H00F 121.3 . . ?
C00N C00F C00D 117.5(4) . . ?
C00N C00F H00F 121.3 . . ?
F003 C00G C009 118.5(4) . . ?
F003 C00G C00J 119.5(4) . . ?
C009 C00G H00G 119.0 . . ?
C00J C00G C009 122.0(4) . . ?
C00J C00G H00G 119.0 . . ?
C00Q C00H C00I 178.8(5) . . ?
C007 C00I C00D 104.3(3) . . ?
C007 C00I C00E 105.2(4) . . ?
C00D C00I C00E 105.7(3) . . ?
C00H C00I C007 114.3(3) . . ?
C00H C00I C00D 113.1(4) . . ?
C00H C00I C00E 113.3(4) . . ?
C00A C00J H00J 121.0 . . ?
C00G C00J C00A 118.0(4) . . ?
C00G C00J H00J 121.0 . . ?
C00S C00K C00C 178.8(6) . . ?
C00E C00L H00L 121.4 . . ?
C00E C00L C00P 117.2(5) . . ?
C00P C00L H00L 121.4 . . ?
C005 C00M H00M 121.4 . . ?
C00B C00M C005 117.3(4) . . ?
C00B C00M H00M 121.4 . . ?
F004 C00N C00B 119.6(4) . . ?
F004 C00N C00F 119.1(4) . . ?
C00B C00N C00F 121.2(4) . . ?
C00B C00N H00N 119.4 . . ?
C00F C00N H00N 119.4 . . ?
C008 C00O H00O 121.2 . . ?
C008 C00O C00R 117.6(5) . . ?
C00R C00O H00O 121.2 . . ?
C00L C00P H00P 118.9 . . ?
C00R C00P C00L 122.3(5) . . ?
C00R C00P H00P 118.9 . . ?
C00R C00P F2 122.8(8) . . ?
F2 C00P C00L 114.9(8) . . ?
C00H C00Q H00Q 180.0 . . ?
C00O C00R H00R 119.4 . . ?
C00P C00R C00O 121.3(5) . . ?
C00P C00R H00R 119.4 . . ?
C00P C00R F1 130.2(9) . . ?
F1 C00R C00O 108.3(9) . . ?
C00K C00S H00S 180.0 . . ?
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
F001 C009 1.337(5) . ?
F002 C00B 1.344(5) . ?
F003 C00G 1.342(5) . ?
F004 C00N 1.328(5) . ?
C005 C00C 1.541(6) . ?
C005 C00D 1.389(6) . ?
C005 C00M 1.389(6) . ?
C006 H006 0.9500 . ?
C006 C007 1.384(6) . ?
C006 C009 1.382(6) . ?
C007 C00A 1.390(6) . ?
C007 C00I 1.540(6) . ?
C008 C00C 1.536(6) . ?
C008 C00E 1.396(6) . ?
C008 C00O 1.382(6) . ?
C009 H009 0.9500 . ?
C009 C00G 1.375(6) . ?
C00A C00C 1.543(6) . ?
C00A C00J 1.387(6) . ?
C00B H00B 0.9500 . ?
C00B C00M 1.380(7) . ?
C00B C00N 1.365(7) . ?
C00C C00K 1.451(6) . ?
C00D C00F 1.381(6) . ?
C00D C00I 1.541(6) . ?
C00E C00I 1.546(6) . ?
C00E C00L 1.374(6) . ?
C00F H00F 0.9500 . ?
C00F C00N 1.378(7) . ?
C00G H00G 0.9500 . ?
C00G C00J 1.365(7) . ?
C00H C00I 1.466(6) . ?
C00H C00Q 1.174(6) . ?
C00J H00J 0.9500 . ?
C00K C00S 1.191(7) . ?
C00L H00L 0.9500 . ?
C00L C00P 1.387(7) . ?
C00M H00M 0.9500 . ?
C00N H00N 0.9500 . ?
C00O H00O 0.9500 . ?
C00O C00R 1.395(7) . ?
C00P H00P 0.9500 . ?
C00P C00R 1.342(8) . ?
C00P F2 1.344(3) . ?
C00Q H00Q 0.9500 . ?
C00R H00R 0.9500 . ?
C00R F1 1.345(3) . ?
C00S H00S 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
F001 C009 C00G F003 -0.7(6) . . . . ?
F001 C009 C00G C00J 179.2(4) . . . . ?
F002 C00B C00M C005 -177.7(4) . . . . ?
F002 C00B C00N F004 0.2(6) . . . . ?
F002 C00B C00N C00F 179.5(4) . . . . ?
F003 C00G C00J C00A -179.8(4) . . . . ?
C005 C00D C00F C00N 1.4(6) . . . . ?
C005 C00D C00I C007 -56.4(4) . . . . ?
C005 C00D C00I C00E 54.3(4) . . . . ?
C005 C00D C00I C00H 178.8(4) . . . . ?
C006 C007 C00A C00C 178.3(4) . . . . ?
C006 C007 C00A C00J -0.9(6) . . . . ?
C006 C007 C00I C00D -121.8(4) . . . . ?
C006 C007 C00I C00E 127.2(4) . . . . ?
C006 C007 C00I C00H 2.2(6) . . . . ?
C006 C009 C00G F003 179.8(4) . . . . ?
C006 C009 C00G C00J -0.3(7) . . . . ?
C007 C006 C009 F001 -179.8(4) . . . . ?
C007 C006 C009 C00G -0.3(6) . . . . ?
C007 C00A C00C C005 -56.0(4) . . . . ?
C007 C00A C00C C008 54.8(5) . . . . ?
C007 C00A C00C C00K -178.3(4) . . . . ?
C007 C00A C00J C00G 0.3(6) . . . . ?
C008 C00E C00I C007 54.0(4) . . . . ?
C008 C00E C00I C00D -56.0(5) . . . . ?
C008 C00E C00I C00H 179.6(4) . . . . ?
C008 C00E C00L C00P -1.9(7) . . . . ?
C008 C00O C00R C00P -1.1(7) . . . . ?
C008 C00O C00R F1 174.2(9) . . . . ?
C009 C006 C007 C00A 0.9(6) . . . . ?
C009 C006 C007 C00I 177.9(4) . . . . ?
C009 C00G C00J C00A 0.3(7) . . . . ?
C00A C007 C00I C00D 55.4(4) . . . . ?
C00A C007 C00I C00E -55.6(4) . . . . ?
C00A C007 C00I C00H 179.4(4) . . . . ?
C00C C005 C00D C00F -179.1(4) . . . . ?
C00C C005 C00D C00I 1.0(5) . . . . ?
C00C C005 C00M C00B 177.5(4) . . . . ?
C00C C008 C00E C00I 1.8(5) . . . . ?
C00C C008 C00E C00L -178.8(4) . . . . ?
C00C C008 C00O C00R -179.4(4) . . . . ?
C00C C00A C00J C00G -178.8(4) . . . . ?
C00D C005 C00C C008 -55.2(4) . . . . ?
C00D C005 C00C C00A 55.0(4) . . . . ?
C00D C005 C00C C00K 178.7(4) . . . . ?
C00D C005 C00M C00B -1.8(6) . . . . ?
C00D C00F C00N F004 177.7(4) . . . . ?
C00D C00F C00N C00B -1.6(7) . . . . ?
C00E C008 C00C C005 53.2(4) . . . . ?
C00E C008 C00C C00A -56.3(5) . . . . ?
C00E C008 C00C C00K 177.4(4) . . . . ?
C00E C008 C00O C00R -1.1(6) . . . . ?
C00E C00L C00P C00R -0.3(8) . . . . ?
C00E C00L C00P F2 -179.7(9) . . . . ?
C00F C00D C00I C007 123.7(5) . . . . ?
C00F C00D C00I C00E -125.6(5) . . . . ?
C00F C00D C00I C00H -1.1(6) . . . . ?
C00I C007 C00A C00C 1.0(5) . . . . ?
C00I C007 C00A C00J -178.2(4) . . . . ?
C00I C00D C00F C00N -178.7(4) . . . . ?
C00I C00E C00L C00P 177.4(4) . . . . ?
C00J C00A C00C C005 123.2(4) . . . . ?
C00J C00A C00C C008 -126.1(5) . . . . ?
C00J C00A C00C C00K 0.9(6) . . . . ?
C00L C00E C00I C007 -125.4(4) . . . . ?
C00L C00E C00I C00D 124.6(4) . . . . ?
C00L C00E C00I C00H 0.2(6) . . . . ?
C00L C00P C00R C00O 1.9(8) . . . . ?
C00L C00P C00R F1 -172.3(10) . . . . ?
C00M C005 C00C C008 125.4(4) . . . . ?
C00M C005 C00C C00A -124.4(4) . . . . ?
C00M C005 C00C C00K -0.7(6) . . . . ?
C00M C005 C00D C00F 0.3(6) . . . . ?
C00M C005 C00D C00I -179.5(4) . . . . ?
C00M C00B C00N F004 -179.1(4) . . . . ?
C00M C00B C00N C00F 0.2(7) . . . . ?
C00N C00B C00M C005 1.6(7) . . . . ?
C00O C008 C00C C005 -128.3(4) . . . . ?
C00O C008 C00C C00A 122.1(4) . . . . ?
C00O C008 C00C C00K -4.2(6) . . . . ?
C00O C008 C00E C00I -176.7(4) . . . . ?
C00O C008 C00E C00L 2.7(7) . . . . ?
F2 C00P C00R C00O -178.8(9) . . . . ?
F2 C00P C00R F1 7.0(16) . . . . ?
