# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_hg0725
_database_code_depnum_ccdc_archive 'CCDC 2171448'
loop_
_audit_author_name
_audit_author_address
'Tan Xiangwen'
;South China University of Technology
China
;
_audit_update_record             
;
2022-05-09 deposited with the CCDC.	2022-10-18 downloaded from the CCDC.
;
_audit_creation_date             2020-07-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.16 svn.r6f6c53a7 for OlexSys, GUI svn.r6139)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H19 F3 O'
_chemical_formula_sum            'C23 H19 F3 O'
_chemical_formula_weight         368.38
_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 0.0033 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'
F F 0.0171 0.0103 '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'

_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.1043(13)
_cell_length_b                   5.8211(4)
_cell_length_c                   16.8027(12)
_cell_angle_alpha                90
_cell_angle_beta                 98.663(7)
_cell_angle_gamma                90
_cell_volume                     1750.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2397
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      28.8270
_cell_measurement_theta_min      2.2680
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.986
_exptl_absorpt_coefficient_mu    0.106
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67049
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
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    1.398
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_unetI/netI     0.0665
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6954
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.994
_diffrn_reflns_theta_max         24.994
_diffrn_reflns_theta_min         2.276
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_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    -86.00   6.00   1.00    6.50    --  -11.59 -77.00-150.00   92
  2  ω    -85.00   9.00   1.00    6.50    --  -11.59 -57.00  90.00   94
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0379023000
_diffrn_orient_matrix_UB_12      -0.0190050000
_diffrn_orient_matrix_UB_13      -0.0043246000
_diffrn_orient_matrix_UB_21      0.0081295000
_diffrn_orient_matrix_UB_22      -0.0294942000
_diffrn_orient_matrix_UB_23      0.0413413000
_diffrn_orient_matrix_UB_31      -0.0082709000
_diffrn_orient_matrix_UB_32      -0.1166678000
_diffrn_orient_matrix_UB_33      -0.0097413000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2366
_reflns_number_total             3066
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.286
_refine_diff_density_min         -0.230
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         3066
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0555
_refine_ls_restrained_S_all      1.007
_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)+(0.0611P)²+0.8693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1320
_refine_ls_wR_factor_ref         0.1449
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C12(H12), C9(H9), C11(H11), C2(H2), C8(H8), C19(H19), C13(H13),
 C23(H23), C3(H3), C14(H14), C5(H5), C4(H4), C22(H22), C21(H21), C20(H20)
;
_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
F2 F 0.12921(8) 0.5234(3) -0.00133(8) 0.0383(4) Uani 1 1 d . . . . .
F3 F 0.08032(8) 0.2837(3) 0.07319(9) 0.0374(4) Uani 1 1 d . . . . .
F1 F 0.04661(8) 0.6377(3) 0.06908(9) 0.0417(4) Uani 1 1 d . . . . .
O1 O 0.19195(10) 0.7826(3) 0.13012(11) 0.0281(4) Uani 1 1 d . . . . .
C18 C 0.13637(12) 0.5379(4) 0.21845(14) 0.0204(5) Uani 1 1 d . . . . .
C7 C 0.53948(12) 0.2515(4) 0.40521(13) 0.0192(5) Uani 1 1 d . . . . .
C10 C 0.40612(13) 0.2445(4) 0.29361(14) 0.0200(5) Uani 1 1 d . . . . .
C6 C 0.62833(13) 0.0664(4) 0.51618(14) 0.0217(5) Uani 1 1 d . . . . .
H6 H 0.597369 -0.061853 0.512523 0.026 Uiso 1 1 calc R U . . .
C1 C 0.60924(13) 0.2531(4) 0.46482(14) 0.0188(5) Uani 1 1 d . . . . .
C12 C 0.49127(13) 0.4400(4) 0.39572(14) 0.0215(5) Uani 1 1 d . . . . .
H12 H 0.503733 0.571364 0.426295 0.026 Uiso 1 1 calc R U . . .
C9 C 0.45434(12) 0.0554(4) 0.30284(14) 0.0210(5) Uani 1 1 d . . . . .
H9 H 0.442355 -0.074817 0.271469 0.025 Uiso 1 1 calc R U . . .
C11 C 0.42575(13) 0.4361(4) 0.34224(14) 0.0213(5) Uani 1 1 d . . . . .
H11 H 0.394124 0.562784 0.338431 0.026 Uiso 1 1 calc R U . . .
C2 C 0.65725(13) 0.4421(4) 0.47210(15) 0.0238(6) Uani 1 1 d . . . . .
H2 H 0.645905 0.568362 0.438545 0.029 Uiso 1 1 calc R U . . .
C16 C 0.16878(13) 0.5500(4) 0.14013(14) 0.0214(5) Uani 1 1 d . . . . .
C8 C 0.51936(13) 0.0583(4) 0.35759(14) 0.0213(5) Uani 1 1 d . . . . .
H8 H 0.550206 -0.070293 0.362834 0.026 Uiso 1 1 calc R U . . .
C19 C 0.09547(13) 0.7244(4) 0.24150(14) 0.0245(6) Uani 1 1 d . . . . .
H19 H 0.090453 0.856972 0.210265 0.029 Uiso 1 1 calc R U . . .
C13 C 0.33793(13) 0.2335(4) 0.23370(14) 0.0231(6) Uani 1 1 d . . . . .
H13 H 0.320324 0.087663 0.218211 0.028 Uiso 1 1 calc R U . . .
C23 C 0.14346(13) 0.3434(4) 0.26668(14) 0.0237(6) Uani 1 1 d . . . . .
H23 H 0.170112 0.217619 0.252046 0.028 Uiso 1 1 calc R U . . .
C3 C 0.72137(13) 0.4448(4) 0.52839(14) 0.0252(6) Uani 1 1 d . . . . .
H3 H 0.752701 0.572150 0.532112 0.030 Uiso 1 1 calc R U . . .
C14 C 0.29906(13) 0.4095(4) 0.19956(14) 0.0239(6) Uani 1 1 d . . . . .
H14 H 0.313302 0.556715 0.217084 0.029 Uiso 1 1 calc R U . . .
C5 C 0.69259(13) 0.0697(4) 0.57237(15) 0.0259(6) Uani 1 1 d . . . . .
H5 H 0.704552 -0.056384 0.605837 0.031 Uiso 1 1 calc R U . . .
C17 C 0.10588(13) 0.5000(4) 0.07075(14) 0.0263(6) Uani 1 1 d . . . . .
C4 C 0.73929(14) 0.2600(4) 0.57910(15) 0.0269(6) Uani 1 1 d . . . . .
H4 H 0.782162 0.262957 0.617318 0.032 Uiso 1 1 calc R U . . .
C15 C 0.23320(13) 0.3846(4) 0.13408(14) 0.0241(6) Uani 1 1 d . . . . .
H15A H 0.214554 0.228549 0.134998 0.029 Uiso 1 1 calc R U . . .
H15B H 0.250081 0.407735 0.082552 0.029 Uiso 1 1 calc R U . . .
C22 C 0.11129(14) 0.3342(5) 0.33641(15) 0.0294(6) Uani 1 1 d . . . . .
H22 H 0.116947 0.203344 0.368512 0.035 Uiso 1 1 calc R U . . .
C21 C 0.07073(14) 0.5192(5) 0.35846(16) 0.0336(7) Uani 1 1 d . . . . .
H21 H 0.049206 0.513292 0.405298 0.040 Uiso 1 1 calc R U . . .
C20 C 0.06254(13) 0.7122(5) 0.31041(15) 0.0294(6) Uani 1 1 d . . . . .
H20 H 0.034557 0.835614 0.324535 0.035 Uiso 1 1 calc R U . . .
H1 H 0.219(2) 0.790(6) 0.087(2) 0.066(11) Uiso 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
F2 C17 1.348(3) . ?
F3 C17 1.344(3) . ?
F1 C17 1.336(3) . ?
O1 C16 1.435(3) . ?
O1 H1 0.94(4) . ?
C18 C16 1.521(3) . ?
C18 C19 1.401(3) . ?
C18 C23 1.387(3) . ?
C7 C1 1.489(3) . ?
C7 C12 1.396(3) . ?
C7 C8 1.396(3) . ?
C10 C9 1.399(3) . ?
C10 C11 1.397(3) . ?
C10 C13 1.472(3) . ?
C6 H6 0.9300 . ?
C6 C1 1.398(3) . ?
C6 C5 1.384(3) . ?
C1 C2 1.396(3) . ?
C12 H12 0.9300 . ?
C12 C11 1.376(3) . ?
C9 H9 0.9300 . ?
C9 C8 1.381(3) . ?
C11 H11 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.383(3) . ?
C16 C17 1.530(3) . ?
C16 C15 1.528(3) . ?
C8 H8 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.382(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.324(3) . ?
C23 H23 0.9300 . ?
C23 C22 1.386(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.380(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.503(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.388(3) . ?
C4 H4 0.9300 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C22 H22 0.9300 . ?
C22 C21 1.385(4) . ?
C21 H21 0.9300 . ?
C21 C20 1.378(4) . ?
C20 H20 0.9300 . ?

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
C16 O1 H1 109(2) . . ?
C19 C18 C16 119.5(2) . . ?
C23 C18 C16 122.0(2) . . ?
C23 C18 C19 118.5(2) . . ?
C12 C7 C1 121.6(2) . . ?
C12 C7 C8 117.6(2) . . ?
C8 C7 C1 120.80(19) . . ?
C9 C10 C13 119.1(2) . . ?
C11 C10 C9 117.6(2) . . ?
C11 C10 C13 123.2(2) . . ?
C1 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C5 C6 C1 121.0(2) . . ?
C6 C1 C7 121.1(2) . . ?
C2 C1 C7 121.2(2) . . ?
C2 C1 C6 117.8(2) . . ?
C7 C12 H12 119.2 . . ?
C11 C12 C7 121.6(2) . . ?
C11 C12 H12 119.2 . . ?
C10 C9 H9 119.4 . . ?
C8 C9 C10 121.3(2) . . ?
C8 C9 H9 119.4 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 120.9(2) . . ?
C12 C11 H11 119.5 . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 121.1(2) . . ?
C3 C2 H2 119.5 . . ?
O1 C16 C18 107.63(18) . . ?
O1 C16 C17 106.72(18) . . ?
O1 C16 C15 110.33(18) . . ?
C18 C16 C17 108.10(18) . . ?
C18 C16 C15 115.23(19) . . ?
C15 C16 C17 108.50(19) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 C7 120.9(2) . . ?
C9 C8 H8 119.5 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.3(2) . . ?
C20 C19 H19 119.8 . . ?
C10 C13 H13 116.6 . . ?
C14 C13 C10 126.8(2) . . ?
C14 C13 H13 116.6 . . ?
C18 C23 H23 119.6 . . ?
C22 C23 C18 120.8(2) . . ?
C22 C23 H23 119.6 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(2) . . ?
C4 C3 H3 119.7 . . ?
C13 C14 H14 118.2 . . ?
C13 C14 C15 123.6(2) . . ?
C15 C14 H14 118.2 . . ?
C6 C5 H5 119.8 . . ?
C4 C5 C6 120.4(2) . . ?
C4 C5 H5 119.8 . . ?
F2 C17 C16 111.54(19) . . ?
F3 C17 F2 106.15(19) . . ?
F3 C17 C16 112.04(19) . . ?
F1 C17 F2 106.24(19) . . ?
F1 C17 F3 106.47(19) . . ?
F1 C17 C16 113.9(2) . . ?
C3 C4 C5 119.2(2) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C16 C15 H15A 108.6 . . ?
C16 C15 H15B 108.6 . . ?
C14 C15 C16 114.84(19) . . ?
C14 C15 H15A 108.6 . . ?
C14 C15 H15B 108.6 . . ?
H15A C15 H15B 107.5 . . ?
C23 C22 H22 119.9 . . ?
C23 C22 C21 120.2(2) . . ?
C21 C22 H22 119.9 . . ?
C22 C21 H21 120.3 . . ?
C20 C21 C22 119.5(2) . . ?
C20 C21 H21 120.3 . . ?
C19 C20 H20 119.6 . . ?
C21 C20 C19 120.7(2) . . ?
C21 C20 H20 119.6 . . ?

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
O1 C16 C17 F2 60.2(2) . . . . ?
O1 C16 C17 F3 179.01(18) . . . . ?
O1 C16 C17 F1 -60.1(2) . . . . ?
O1 C16 C15 C14 64.6(3) . . . . ?
C18 C16 C17 F2 175.69(19) . . . . ?
C18 C16 C17 F3 -65.5(2) . . . . ?
C18 C16 C17 F1 55.5(3) . . . . ?
C18 C16 C15 C14 -57.5(3) . . . . ?
C18 C19 C20 C21 1.5(4) . . . . ?
C18 C23 C22 C21 0.7(4) . . . . ?
C7 C1 C2 C3 178.9(2) . . . . ?
C7 C12 C11 C10 -1.8(3) . . . . ?
C10 C9 C8 C7 -0.5(3) . . . . ?
C10 C13 C14 C15 175.1(2) . . . . ?
C6 C1 C2 C3 -0.2(3) . . . . ?
C6 C5 C4 C3 -0.8(4) . . . . ?
C1 C7 C12 C11 -178.2(2) . . . . ?
C1 C7 C8 C9 179.4(2) . . . . ?
C1 C6 C5 C4 0.4(3) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C12 C7 C1 C6 133.6(2) . . . . ?
C12 C7 C1 C2 -45.5(3) . . . . ?
C12 C7 C8 C9 0.4(3) . . . . ?
C9 C10 C11 C12 1.7(3) . . . . ?
C9 C10 C13 C14 -157.8(2) . . . . ?
C11 C10 C9 C8 -0.5(3) . . . . ?
C11 C10 C13 C14 22.0(4) . . . . ?
C2 C3 C4 C5 0.7(4) . . . . ?
C16 C18 C19 C20 176.9(2) . . . . ?
C16 C18 C23 C22 -177.9(2) . . . . ?
C8 C7 C1 C6 -45.3(3) . . . . ?
C8 C7 C1 C2 135.6(2) . . . . ?
C8 C7 C12 C11 0.8(3) . . . . ?
C19 C18 C16 O1 35.9(3) . . . . ?
C19 C18 C16 C17 -79.0(3) . . . . ?
C19 C18 C16 C15 159.5(2) . . . . ?
C19 C18 C23 C22 -0.5(3) . . . . ?
C13 C10 C9 C8 179.3(2) . . . . ?
C13 C10 C11 C12 -178.1(2) . . . . ?
C13 C14 C15 C16 141.1(2) . . . . ?
C23 C18 C16 O1 -146.7(2) . . . . ?
C23 C18 C16 C17 98.4(2) . . . . ?
C23 C18 C16 C15 -23.1(3) . . . . ?
C23 C18 C19 C20 -0.6(3) . . . . ?
C23 C22 C21 C20 0.1(4) . . . . ?
C5 C6 C1 C7 -179.0(2) . . . . ?
C5 C6 C1 C2 0.1(3) . . . . ?
C17 C16 C15 C14 -178.8(2) . . . . ?
C15 C16 C17 F2 -58.7(2) . . . . ?
C15 C16 C17 F3 60.1(2) . . . . ?
C15 C16 C17 F1 -178.9(2) . . . . ?
C22 C21 C20 C19 -1.2(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
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Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.489
_oxdiff_exptl_absorpt_empirical_full_min 0.528
# start Validation Reply Form
_vrf_PLAT420_hg0725              
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PROBLEM: D-H Without Acceptor       O1       --H1       .     Please Check 
RESPONSE: in the crystal, the H-bond acceptor is not found.
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# end Validation Reply Form
