# Supplementary Information (SI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_38-cr-20250409a_twin1_hklf4
_database_code_depnum_ccdc_archive 'CCDC 2487236'
loop_
_audit_author_name
_audit_author_address
'xiaocai Lv'
;Tianjin University
China
;
_audit_update_record             
;
2025-09-11 deposited with the CCDC.	2026-02-09 downloaded from the CCDC.
;
_audit_creation_date             2025-04-09
_audit_creation_method           
;
Olex2 1.5-ac6-020
(compiled 2024.02.14 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6966)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H10, C10 F8'
_chemical_formula_sum            'C24 H10 F8'
_chemical_formula_weight         450.32
_chemical_melting_point          ?
_chemical_oxdiff_formula         C24H10F8
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   6.7508(3)
_cell_length_b                   18.1743(10)
_cell_length_c                   7.6426(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.457(6)
_cell_angle_gamma                90
_cell_volume                     915.59(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2920
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.7270
_cell_measurement_theta_min      6.4200
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.343
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.44.103a (Rigaku Oxford Diffraction, 2025)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0056
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.938
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3942
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.159
_diffrn_reflns_theta_min         4.867
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -88.00 -15.00   0.50    0.20    --  -53.99 122.00  -1.00  146
  2  ω      9.00  89.00   0.50    0.20    --   54.48-122.00 -82.00  160
  3  ω      9.00  97.00   0.50    0.20    --   62.47-122.00 -82.00  176
  4  ω    -97.00 -46.00   0.50    0.20    --  -62.96 122.00  -1.00  102
  5  ω    -76.00 -50.00   0.50    0.20    --  -77.87 122.00  -1.00   52
  6  ω     45.00  70.00   0.50    0.20    --   93.72-122.00 -82.00   50
  7  ω    104.00 130.00   0.50    0.20    --   93.72 122.00  -1.00   52
  8  ω    -53.00 -27.00   0.50    0.20    --  -26.00 -62.00 141.14   52
  9  ω     16.00  46.00   0.50    0.20    --   62.47 -61.00 -30.00   60
 10  ω    -54.00 -17.00   0.50    0.20    --  -62.96 122.00  -1.00   74
 11  ω    -32.00  -7.00   0.50    0.20    --  -62.96  45.00-180.00   50
 12  ω    -31.00  -6.00   0.50    0.20    --  -62.96  45.00 -90.00   50
 13  ω    -32.00  -7.00   0.50    0.20    --  -62.96  45.00 150.00   50
 14  ω    -54.00 -25.00   0.50    0.20    --  -77.87  61.00-150.00   58
 15  ω    -92.00 -42.00   0.50    0.20    --  -77.87 112.00 -30.00  100
 16  ω   -131.00 -86.00   0.50    0.20    --  -77.87 -61.00  90.00   90
 17  ω    -88.00 -57.00   0.50    0.20    --  -82.00  88.00-172.37   62
 18  ω   -130.00 -94.00   0.50    0.20    --  -82.00 -55.00 -53.59   72
 19  ω     97.00 143.00   0.50    0.20    --   93.72  61.00  60.00   92
 20  ω    101.00 127.00   0.50    0.20    --   93.72  61.00 150.00   52
 21  ω     41.00  92.00   0.50    0.20    --   93.72-112.00-120.00  102
 22  ω     43.00  69.00   0.50    0.20    --   93.72 -95.00-120.00   52
 23  ω     96.00 121.00   0.50    0.20    --   93.72  61.00   0.00   50
 24  ω     52.00  79.00   0.50    0.20    --   93.72 -95.00 -60.00   54
 25  ω     99.00 145.00   0.50    0.20    --   93.72  45.00   0.00   92
 26  ω    120.00 150.00   0.50    0.20    --   93.72  30.00-150.00   60
 27  ω     43.00  69.00   0.50    0.20    --   93.72 -95.00 150.00   52
 28  ω    103.00 138.00   0.50    0.20    --   93.72 112.00-120.00   70
 29  ω     46.00  89.00   0.50    0.20    --   93.72 -95.00 -30.00   86
 30  ω     98.00 136.00   0.50    0.20    --   93.72  45.00 -60.00   76
 31  ω     44.00  90.00   0.50    0.20    --   93.72 -95.00  60.00   92
 32  ω     96.00 146.00   0.50    0.20    --   93.72 112.00  90.00  100
 33  ω     50.00  88.00   0.50    0.20    --   93.72 -95.00  90.00   76
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, SynergyCustom DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0061327000
_diffrn_orient_matrix_UB_12      0.0844805000
_diffrn_orient_matrix_UB_13      -0.0155407000
_diffrn_orient_matrix_UB_21      0.0261356000
_diffrn_orient_matrix_UB_22      0.0068334000
_diffrn_orient_matrix_UB_23      0.2046200000
_diffrn_orient_matrix_UB_31      0.2319350000
_diffrn_orient_matrix_UB_32      -0.0028759000
_diffrn_orient_matrix_UB_33      0.0219774000
_diffrn_oxdiff_digest_od_ed      
;

;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3462
_reflns_number_total             3942
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.44.103a (Rigaku OD, 2025)'
_computing_data_collection       
'CrysAlisPro system (CCD 44.103a 64-bit (release 31-03-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.103a (Rigaku OD, 2025)'
_computing_molecular_graphics    'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-020 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.271
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         3942
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0724
_refine_ls_restrained_S_all      1.032
_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)+(0.1554P)²+0.1938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2183
_refine_ls_wR_factor_ref         0.2270
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.628(3)
 0.372(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3. Restrained distances
 C8-C7
 1.39 with sigma of 0.02
 C7-C4 = C9-C8 = C5-C10
 1.5 with sigma of 0.02
4. Others
 Fixed Sof: C1(0.5) H1(0.5) C2(0.5) H2(0.5) C3(0.5) H3(0.5) C4(0.5) C5(0.5)
 C6(0.5) H6(0.5) C7(0.5) H7(0.5) C8(0.5) H8(0.5) C9(0.5) C10(0.5) C11(0.5)
 H11(0.5) C12(0.5) H12(0.5) C13(0.5) H13(0.5) C14(0.5) H14(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C11(H11), C12(H12), C13(H13),
 C14(H14)
5.b Fitted hexagon refined as free rotating group:
 C1(C2,C3,C4,C5,C6), C9(C10,C11,C12,C13,C14)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
C1 C -0.4406(5) 0.16554(16) 0.1653(5) 0.0398(10) Uani 0.5 1 d G . P A -1
H1 H -0.409931 0.198493 0.263925 0.048 Uiso 0.5 1 calc R U P A -1
C2 C -0.4915(5) 0.19283(13) -0.0085(5) 0.0404(11) Uani 0.5 1 d G . P A -1
H2 H -0.495616 0.244444 -0.028704 0.049 Uiso 0.5 1 calc R U P A -1
C3 C -0.5363(5) 0.14461(17) -0.1529(4) 0.0386(9) Uani 0.5 1 d G . P A -1
H3 H -0.571104 0.163271 -0.271658 0.046 Uiso 0.5 1 calc R U P A -1
C4 C -0.5303(5) 0.06910(16) -0.1233(4) 0.0364(11) Uani 0.5 1 d DG . P A -1
C5 C -0.4794(4) 0.04180(12) 0.0505(5) 0.0329(9) Uani 0.5 1 d DG . P A -1
C6 C -0.4345(4) 0.09002(17) 0.1948(4) 0.0368(9) Uani 0.5 1 d G . P A -1
H6 H -0.399734 0.071366 0.313599 0.044 Uiso 0.5 1 calc R U P A -1
C7 C -0.5784(6) 0.0191(3) -0.2735(6) 0.0383(9) Uani 0.5 1 d D . P A -1
H7 H -0.613280 0.038485 -0.391619 0.046 Uiso 0.5 1 calc R U P A -1
C8 C -0.5751(6) -0.0536(3) -0.2502(6) 0.0376(9) Uani 0.5 1 d D . P A -1
H8 H -0.608112 -0.084910 -0.351916 0.045 Uiso 0.5 1 calc R U P A -1
C9 C -0.5220(4) -0.08594(17) -0.0721(4) 0.0345(9) Uani 0.5 1 d DG . P A -1
C10 C -0.4733(4) -0.04074(12) 0.0778(5) 0.0335(12) Uani 0.5 1 d DG . P A -1
C11 C -0.4223(4) -0.07155(16) 0.2480(4) 0.0378(9) Uani 0.5 1 d G . P A -1
H11 H -0.388977 -0.040657 0.350463 0.045 Uiso 0.5 1 calc R U P A -1
C12 C -0.4199(4) -0.14756(17) 0.2685(4) 0.0417(10) Uani 0.5 1 d G . P A -1
H12 H -0.385024 -0.168624 0.384825 0.050 Uiso 0.5 1 calc R U P A -1
C13 C -0.4686(5) -0.19277(12) 0.1186(5) 0.0432(11) Uani 0.5 1 d G . P A -1
H13 H -0.466984 -0.244720 0.132560 0.052 Uiso 0.5 1 calc R U P A -1
C14 C -0.5196(4) -0.16196(16) -0.0517(4) 0.0395(11) Uani 0.5 1 d G . P A -1
H14 H -0.552897 -0.192849 -0.154068 0.047 Uiso 0.5 1 calc R U P A -1
F1 F -0.0261(2) -0.20920(8) -0.0528(3) 0.0741(7) Uani 1 1 d . . . . .
F2 F -0.1042(2) -0.10625(9) -0.3089(2) 0.0618(6) Uani 1 1 d . . . . .
F3 F -0.1305(2) 0.03136(10) -0.3948(2) 0.0633(6) Uani 1 1 d . . . . .
F4 F -0.0913(2) 0.17166(10) -0.2947(3) 0.0750(7) Uani 1 1 d . . . . .
C15 C -0.0085(3) -0.13793(13) -0.0092(4) 0.0524(7) Uani 1 1 d . . . . .
C16 C -0.0481(3) -0.08522(14) -0.1377(4) 0.0460(6) Uani 1 1 d . . . . .
C17 C -0.0311(3) -0.00983(13) -0.0928(3) 0.0394(6) Uani 1 1 d . . . . .
C18 C -0.0705(3) 0.04707(14) -0.2204(3) 0.0459(6) Uani 1 1 d . . . . .
C19 C -0.0518(3) 0.11894(14) -0.1706(4) 0.0530(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 H1 0.9500 . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 H2 0.9500 . ?
C2 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C4 C7 1.445(5) . ?
C5 C6 1.3900 . ?
C5 C10 1.514(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C7 C8 1.333(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.455(5) . ?
C9 C10 1.3900 . ?
C9 C14 1.3900 . ?
C10 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C13 1.3900 . ?
C13 H13 0.9500 . ?
C13 C14 1.3900 . ?
C14 H14 0.9500 . ?
F1 C15 1.336(3) . ?
F2 C16 1.337(3) . ?
F3 C18 1.338(3) . ?
F4 C19 1.334(3) . ?
C15 C16 1.356(4) . ?
C15 C19 1.390(4) 3 ?
C16 C17 1.411(3) . ?
C17 C17 1.434(5) 3 ?
C17 C18 1.407(3) . ?
C18 C19 1.359(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
C2 C1 H1 120.0 . . ?
C2 C1 C6 120.0 . . ?
C6 C1 H1 120.0 . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 C7 119.9(3) . . ?
C5 C4 C7 120.1(3) . . ?
C4 C5 C10 118.6(3) . . ?
C6 C5 C4 120.0 . . ?
C6 C5 C10 121.4(3) . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C4 C7 H7 119.2 . . ?
C8 C7 C4 121.5(4) . . ?
C8 C7 H7 119.2 . . ?
C7 C8 H8 119.4 . . ?
C7 C8 C9 121.3(4) . . ?
C9 C8 H8 119.4 . . ?
C10 C9 C8 119.9(3) . . ?
C10 C9 C14 120.0 . . ?
C14 C9 C8 120.1(3) . . ?
C9 C10 C5 118.5(3) . . ?
C9 C10 C11 120.0 . . ?
C11 C10 C5 121.5(3) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.0 . . ?
C14 C13 H13 120.0 . . ?
C9 C14 H14 120.0 . . ?
C13 C14 C9 120.0 . . ?
C13 C14 H14 120.0 . . ?
F1 C15 C16 120.8(3) . . ?
F1 C15 C19 118.6(3) . 3 ?
C16 C15 C19 120.7(2) . 3 ?
F2 C16 C15 118.5(2) . . ?
F2 C16 C17 120.4(2) . . ?
C15 C16 C17 121.1(2) . . ?
C16 C17 C17 118.3(3) . 3 ?
C18 C17 C16 123.5(2) . . ?
C18 C17 C17 118.3(3) . 3 ?
F3 C18 C17 120.4(2) . . ?
F3 C18 C19 118.3(2) . . ?
C19 C18 C17 121.3(3) . . ?
F4 C19 C15 119.7(3) . 3 ?
F4 C19 C18 119.9(3) . . ?
C18 C19 C15 120.4(2) . 3 ?

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
C1 C2 C3 C4 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C2 C3 C4 C7 179.5(3) . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C3 C4 C5 C10 -179.7(2) . . . . ?
C3 C4 C7 C8 -179.7(3) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C4 C5 C10 C9 -1.0(2) . . . . ?
C4 C5 C10 C11 179.58(16) . . . . ?
C4 C7 C8 C9 -0.2(6) . . . . ?
C5 C4 C7 C8 -0.1(5) . . . . ?
C5 C10 C11 C12 179.4(2) . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C6 C5 C10 C9 179.29(17) . . . . ?
C6 C5 C10 C11 -0.1(2) . . . . ?
C7 C4 C5 C6 -179.5(3) . . . . ?
C7 C4 C5 C10 0.7(3) . . . . ?
C7 C8 C9 C10 0.0(5) . . . . ?
C7 C8 C9 C14 -180.0(3) . . . . ?
C8 C9 C10 C5 0.6(3) . . . . ?
C8 C9 C10 C11 -179.9(3) . . . . ?
C8 C9 C14 C13 179.9(3) . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C5 C6 C1 179.7(2) . . . . ?
C10 C9 C14 C13 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C9 0.0 . . . . ?
C14 C9 C10 C5 -179.4(2) . . . . ?
C14 C9 C10 C11 0.0 . . . . ?
F1 C15 C16 F2 -0.3(3) . . . . ?
F1 C15 C16 C17 179.62(18) . . . . ?
F2 C16 C17 C17 -179.5(2) . . . 3 ?
F2 C16 C17 C18 0.0(3) . . . . ?
F3 C18 C19 F4 -0.6(3) . . . . ?
F3 C18 C19 C15 179.49(19) . . . 3 ?
C15 C16 C17 C17 0.6(3) . . . 3 ?
C15 C16 C17 C18 -179.95(19) . . . . ?
C16 C17 C18 F3 1.1(3) . . . . ?
C16 C17 C18 C19 -180.0(2) . . . . ?
C17 C17 C18 F3 -179.4(2) 3 . . . ?
C17 C17 C18 C19 -0.5(4) 3 . . . ?
C17 C18 C19 F4 -179.64(18) . . . . ?
C17 C18 C19 C15 0.5(4) . . . 3 ?
C19 C15 C16 F2 179.48(19) 3 . . . ?
C19 C15 C16 C17 -0.6(3) 3 . . . ?

_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 3.808
_oxdiff_exptl_absorpt_empirical_full_min 0.333
_oxdiff_twin_integration_method  simultaneous
_oxdiff_twin_items               2
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_oxdiff_twin_reflns_isolated
_oxdiff_twin_reflns_overlapped
_twin_individual_twin_lattice_type
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.628(3) 7335 755 ref 1.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000
1.0000
2 0.372(3) 7274 755 nmt 1.0005 0.0003 -0.0014 -0.4321 -0.6857 -1.7712 -0.4105
0.2988 -0.6847

_twin_special_details            
;
Component 2 rotated by 133.2567° 
around [0.97 0.00 -0.24] (reciprocal) or [1.00 0.00 -0.00] (direct)
;
