# Supplementary Information (SI) for ChemComm.
# 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_a251030a_auto
_database_code_depnum_ccdc_archive 'CCDC 2499868'
loop_
_audit_author_name
_audit_author_address
'Xinyu Hu'
;Tianjin Normal University
China
;
_audit_update_record             
;
2025-11-03 deposited with the CCDC.	2026-06-23 downloaded from the CCDC.
;
_audit_creation_date             2025-10-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C9 H7 F3 O2'
_chemical_formula_sum            'C9 H7 F3 O2'
_chemical_formula_weight         204.15
_chemical_melting_point          ?
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'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           64
_space_group_name_H-M_alt        'C m c e'
_space_group_name_Hall           '-C 2bc 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'x+1/2, -y, z-1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   7.02132(20)
_cell_length_b                   14.8471(3)
_cell_length_c                   16.9881(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1770.95(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7010
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.9450
_cell_measurement_theta_min      2.5880
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.317
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54238
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.129a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0111
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11251
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.024
_diffrn_reflns_theta_max         67.024
_diffrn_reflns_theta_min         5.207
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2740
_diffrn_detector_type            AtlasS2
_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    -98.00 -18.00   1.00    1.00    --  -41.42 -38.00 150.00   80
  2  ω   -109.00 -31.00   1.00    1.00    --  -41.42 -57.00  30.00   78
  3  ω   -113.00 -14.00   1.00    1.00    --  -41.42 -57.00 -90.00   99
  4  ω    -87.00 -60.00   1.00    1.00    --  -41.42-158.00  88.00   27
  5  ω    -71.00 -20.00   1.00    1.00    --  -41.42 -57.00  90.00   51
  6  ω    -56.00  -6.00   1.00    1.00    --  -41.42 125.00 -30.00   50
  7  ω     49.00 121.00   1.00    1.00    --   41.42   0.00   0.00   72
  8  ω    -33.00  60.00   1.00    1.00    --   41.42 -38.00-120.00   93
  9  ω      6.00  32.00   1.00    1.00    --   41.42  85.00 120.17   26
 10  ω     10.00  38.00   1.00    1.00    --   41.42  77.00  13.04   28
 11  ω     27.00  94.00   1.00    1.00    --   41.42-125.00-180.00   67
 12  ω      6.00  31.00   1.00    1.00    --   41.42  85.00 -42.79   25
 13  ω     14.00  45.00   1.00    1.00    --   41.42  57.00 -60.00   31
 14  ω    -25.00  17.00   1.00    1.00    --   41.42   0.00   0.00   42
 15  ω     11.00  40.00   1.00    1.00    --   41.42  82.00  36.47   29
 16  ω      7.00  32.00   1.00    1.00    --   41.42  83.00-147.55   25
 17  ω     76.00 112.00   1.00    1.81    --  105.20  61.00 -60.00   36
 18  ω    142.00 168.00   1.00    1.81    --  105.20  61.00  30.00   26
 19  ω     77.00 177.00   1.00    1.81    --  105.20  61.00  90.00  100
 20  ω     76.00 102.00   1.00    1.81    --  105.20  61.00  30.00   26
 21  ω     76.00 107.00   1.00    1.81    --  105.20  61.00 -90.00   31
 22  ω    109.00 175.00   1.00    1.81    --  105.20  61.00-150.00   66
 23  ω     98.00 158.00   1.00    1.81    --  105.20 125.00   0.00   60
 24  ω     76.00 102.00   1.00    1.81    --  105.20  61.00-150.00   26
 25  ω    131.00 176.00   1.00    1.81    --  105.20  61.00 -90.00   45
 26  ω     76.00 103.00   1.00    1.81    --  105.20  61.00 -30.00   27
 27  ω     76.00 102.00   1.00    1.81    --  105.20  61.00 120.00   26
 28  ω    112.00 138.00   1.00    1.81    --  105.20  61.00 120.00   26
 29  ω     77.00 103.00   1.00    1.81    --  105.20  61.00-180.00   26
 30  ω    117.00 177.00   1.00    1.81    --  105.20  61.00 -60.00   60
 31  ω     84.00 112.00   1.00    1.81    --  105.20-125.00  30.00   28
 32  ω     76.00 103.00   1.00    1.81    --  105.20  61.00  60.00   27
 33  ω     81.00 108.00   1.00    1.81    --  105.20  45.00-180.00   27
 34  ω     76.00 157.00   1.00    1.81    --  105.20  61.00   0.00   81
 35  ω     34.00  82.00   1.00    1.81    --  105.20-125.00  30.00   48
 36  ω    110.00 135.00   1.00    1.81    --  105.20  45.00  90.00   25
 37  ω     80.00 105.00   1.00    1.81    --  105.20  45.00  90.00   25
 38  ω     34.00 109.00   1.00    1.81    --  105.20-125.00-120.00   75
 39  ω     79.00 110.00   1.00    1.81    --  105.20  45.00 -60.00   31
 40  ω     79.00 114.00   1.00    1.81    --  105.20  45.00-150.00   35
 41  ω     81.00 108.00   1.00    1.81    --  105.20  45.00   0.00   27
 42  ω     83.00 121.00   1.00    1.81    --  105.20  45.00  60.00   38
 43  ω    125.00 176.00   1.00    1.81    --  105.20  61.00-120.00   51
 44  ω     77.00 103.00   1.00    1.81    --  105.20  61.00-120.00   26
 45  ω     80.00 107.00   1.00    1.81    --  105.20  45.00-120.00   27
 46  ω     36.00 112.00   1.00    1.81    --  105.20-125.00 -30.00   76
 47  ω     76.00 174.00   1.00    1.81    --  105.20  61.00 150.00   98
 48  ω     29.00 136.00   1.00    1.81    --  105.20 -77.00  30.00  107
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0532093000
_diffrn_orient_matrix_UB_12      0.0970486000
_diffrn_orient_matrix_UB_13      -0.0233191000
_diffrn_orient_matrix_UB_21      -0.0150976000
_diffrn_orient_matrix_UB_22      0.0291625000
_diffrn_orient_matrix_UB_23      0.0868004000
_diffrn_orient_matrix_UB_31      0.2123643000
_diffrn_orient_matrix_UB_32      -0.0222578000
_diffrn_orient_matrix_UB_33      0.0120234000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                801
_reflns_number_total             867
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.129a (Rigaku OD, 2024)'
_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 (Sheldrick, 2015)'
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.466
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       0.016(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_reflns         867
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0733
_refine_ls_restrained_S_all      1.366
_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)+(0.1084P)²+2.1212P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2138
_refine_ls_wR_factor_ref         0.2162
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F2A-C9 = F1-C9 = F2-C9 = F1A-C9
 1.34 with sigma of 0.01
 O1-C7 = O1A-C7
 1.21 with sigma of 0.01
 O1-C7 \\sim O1A-C7
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(F2) \\sim Ueq, Uanis(F1) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O1) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F2) \\sim Ueq, Uanis(F2A) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.005
Uanis(F2A) = Uanis(F2)
Uanis(F1A) = Uanis(F1)
Uanis(O1A) = Uanis(O1)
4. Others
 Sof(F1A)=1-FVAR(1)
 Sof(F2A)=0.5*(1-FVAR(2))
 Sof(F2)=0.5*FVAR(2)
 Sof(F1)=FVAR(1)
 Sof(O1A)=0.5*(1-FVAR(3))
 Sof(O1)=0.5*FVAR(3)
 Fixed Sof: H8A(0.5) H8B(0.5) H8C(0.5)
5.a Riding coordinates:
 C7(H7), C8(H8A,H8B,H8C)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
O1 O 0.500000 0.2033(6) 0.160(3) 0.076(3) Uani 0.28(8) 2 d DS TU P A 1
O2 O 0.500000 0.46873(17) 0.12788(16) 0.0641(9) Uani 1 2 d S T P . .
C1 C 0.500000 0.3521(2) 0.2199(2) 0.0535(10) Uani 1 2 d S T P A .
C2 C 0.500000 0.4446(2) 0.2042(2) 0.0502(9) Uani 1 2 d S T P . .
C3 C 0.500000 0.5052(2) 0.2666(2) 0.0569(11) Uani 1 2 d S T P . .
H3 H 0.500000 0.566857 0.256712 0.068 Uiso 1 2 calc R U P . .
C4 C 0.500000 0.4742(3) 0.3427(2) 0.0594(11) Uani 1 2 d S T P . .
H4 H 0.500000 0.515383 0.384013 0.071 Uiso 1 2 calc R U P . .
C5 C 0.500000 0.3830(3) 0.3592(2) 0.0552(10) Uani 1 2 d S T P C .
C6 C 0.500000 0.3231(2) 0.2972(2) 0.0581(11) Uani 1 2 d S T P . .
H6 H 0.500000 0.261591 0.307575 0.070 Uiso 1 2 calc R U P . .
C7 C 0.500000 0.2854(3) 0.1557(2) 0.0762(15) Uani 1 2 d DS T P . .
H7 H 0.500000 0.307629 0.104511 0.091 Uiso 1 2 d R U P A .
C8 C 0.500000 0.5628(3) 0.1086(3) 0.0756(13) Uani 1 2 d S T P . .
H8A H 0.542413 0.570534 0.055270 0.113 Uiso 0.5 1 d R U P B -1
H8B H 0.584215 0.594468 0.143473 0.113 Uiso 0.5 1 d R U P B -1
H8C H 0.373373 0.586451 0.113930 0.113 Uiso 0.5 1 d R U P B -1
C9 C 0.500000 0.3516(3) 0.4421(2) 0.0716(12) Uani 1 2 d DS T P . .
F1 F 0.6474(4) 0.3809(2) 0.48298(14) 0.1113(13) Uani 0.813(4) 1 d D U P C 1
F2 F 0.500000 0.2630(3) 0.4510(3) 0.1107(15) Uani 0.813(4) 2 d DS TU P C 1
F1A F 0.3689(19) 0.2874(10) 0.4517(6) 0.1113(13) Uani 0.187(4) 1 d D . P C 2
F2A F 0.500000 0.4156(10) 0.4948(9) 0.1107(15) Uani 0.187(4) 2 d DS TU P C 2
O1A O 0.557(5) 0.2074(6) 0.1678(8) 0.076(3) Uani 0.36(4) 1 d D . P A 2


_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
O1 C7 1.222(8) . ?
O2 C2 1.346(4) . ?
O2 C8 1.435(5) . ?
C1 C2 1.398(5) . ?
C1 C6 1.381(5) . ?
C1 C7 1.474(5) . ?
C2 C3 1.391(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.373(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.383(5) . ?
C5 C6 1.380(5) . ?
C5 C9 1.482(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C7 O1A 1.242(7) . ?
C7 O1A 1.242(7) 12_655 ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 F1 1.320(3) . ?
C9 F1 1.320(3) 12_655 ?
C9 F2 1.325(5) . ?
C9 F1A 1.335(9) . ?
C9 F1A 1.335(9) 12_655 ?
C9 F2A 1.305(9) . ?
O1A O1A 0.80(7) 12_655 ?

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 O2 C8 118.7(3) . . ?
C2 C1 C7 121.3(3) . . ?
C6 C1 C2 119.2(3) . . ?
C6 C1 C7 119.6(3) . . ?
O2 C2 C1 116.5(3) . . ?
O2 C2 C3 124.1(3) . . ?
C3 C2 C1 119.4(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C5 121.3(3) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C9 120.0(3) . . ?
C6 C5 C4 118.5(3) . . ?
C6 C5 C9 121.5(3) . . ?
C1 C6 H6 119.2 . . ?
C5 C6 C1 121.6(4) . . ?
C5 C6 H6 119.2 . . ?
O1 C7 C1 128(2) . . ?
O1 C7 H7 114.6 . . ?
O1 C7 O1A 19.7(11) . 12_655 ?
C1 C7 H7 117.0 . . ?
O1A C7 C1 120.3(7) 12_655 . ?
O1A C7 C1 120.3(7) . . ?
O1A C7 H7 119.0 12_655 . ?
O1A C7 H7 119.0 . . ?
O1A C7 O1A 38(3) 12_655 . ?
O2 C8 H8A 109.3 . . ?
O2 C8 H8B 109.6 . . ?
O2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
F1 C9 C5 113.3(3) . . ?
F1 C9 C5 113.3(3) 12_655 . ?
F1 C9 F1 103.2(4) . 12_655 ?
F1 C9 F2 105.5(3) . . ?
F1 C9 F2 105.5(3) 12_655 . ?
F1 C9 F1A 135.3(6) 12_655 12_655 ?
F1 C9 F1A 68.3(8) . 12_655 ?
F2 C9 C5 114.9(4) . . ?
F2 C9 F1A 43.7(8) . 12_655 ?
F1A C9 C5 109.9(5) 12_655 . ?
F1A C9 C5 109.9(5) . . ?
F2A C9 C5 115.0(9) . . ?
F2A C9 F1A 115.8(8) . . ?
O1A O1A C7 71.2(16) 12_655 . ?

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
O2 C2 C3 C4 180.000(1) . . . . ?
C1 C2 C3 C4 0.000(1) . . . . ?
C1 C7 O1A O1A 101.4(10) . . . 12_655 ?
C2 C1 C6 C5 0.000(1) . . . . ?
C2 C1 C7 O1 180.000(4) . . . . ?
C2 C1 C7 O1A -158.1(18) . . . 12_655 ?
C2 C1 C7 O1A 158.1(18) . . . . ?
C2 C3 C4 C5 0.000(1) . . . . ?
C3 C4 C5 C6 0.000(1) . . . . ?
C3 C4 C5 C9 180.000(1) . . . . ?
C4 C5 C6 C1 0.000(1) . . . . ?
C4 C5 C9 F1 58.6(3) . . . 12_655 ?
C4 C5 C9 F1 -58.6(3) . . . . ?
C4 C5 C9 F2 180.000(1) . . . . ?
C4 C5 C9 F1A 132.8(8) . . . . ?
C4 C5 C9 F1A -132.8(8) . . . 12_655 ?
C4 C5 C9 F2A 0.000(2) . . . . ?
C6 C1 C2 O2 180.000(1) . . . . ?
C6 C1 C2 C3 0.000(1) . . . . ?
C6 C1 C7 O1 0.000(4) . . . . ?
C6 C1 C7 O1A 21.9(18) . . . 12_655 ?
C6 C1 C7 O1A -21.9(18) . . . . ?
C6 C5 C9 F1 -121.4(3) . . . 12_655 ?
C6 C5 C9 F1 121.4(3) . . . . ?
C6 C5 C9 F2 0.000(1) . . . . ?
C6 C5 C9 F1A 47.2(8) . . . 12_655 ?
C6 C5 C9 F1A -47.2(8) . . . . ?
C6 C5 C9 F2A 180.000(2) . . . . ?
C7 C1 C2 O2 0.000(1) . . . . ?
C7 C1 C2 C3 180.000(1) . . . . ?
C7 C1 C6 C5 180.000(1) . . . . ?
C8 O2 C2 C1 180.000(1) . . . . ?
C8 O2 C2 C3 0.000(1) . . . . ?
C9 C5 C6 C1 180.000(1) . . . . ?

_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 1.771
_oxdiff_exptl_absorpt_empirical_full_min 0.627
