# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_cf3_0227
_database_code_depnum_ccdc_archive 'CCDC 2467922'
loop_
_audit_author_name
_audit_author_address
'Zhi Qiang Li '
;Nan Jing Tech University
China
;
_audit_update_record             
;
2025-06-27 deposited with the CCDC.	2025-08-26 downloaded from the CCDC.
;
_audit_creation_date             2023-02-27
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H21 F3 O2'
_chemical_formula_sum            'C18 H21 F3 O2'
_chemical_formula_weight         326.35
_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                   6.0625(5)
_cell_length_b                   11.5130(10)
_cell_length_c                   24.143(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.210(8)
_cell_angle_gamma                90
_cell_volume                     1682.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2689
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      28.4740
_cell_measurement_theta_min      3.3710
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.105
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78431
_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            'light yellow'
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            7028
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.446
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00   7.00   1.00    1.68    --  -11.43 -99.00 -90.00   27
  2  ω      0.00  76.00   1.00    1.68    --   12.05  38.00 -90.00   76
  3  ω    -59.00  28.00   1.00    1.68    --   12.05 -38.00  90.00   87
;
_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      -0.0413827000
_diffrn_orient_matrix_UB_12      -0.0389631000
_diffrn_orient_matrix_UB_13      -0.0208506000
_diffrn_orient_matrix_UB_21      0.0313067000
_diffrn_orient_matrix_UB_22      0.0393642000
_diffrn_orient_matrix_UB_23      -0.0207820000
_diffrn_orient_matrix_UB_31      0.1049541000
_diffrn_orient_matrix_UB_32      -0.0270379000
_diffrn_orient_matrix_UB_33      -0.0001714000
_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                2365
_reflns_number_total             2962
_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 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.222
_refine_diff_density_min         -0.201
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         2962
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0417
_refine_ls_restrained_S_all      1.022
_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)+(0.0376P)²+0.5307P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.0989
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C13(H13A,H13B), C14(H14A,H14B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6)
2.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_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
F1 F 0.9710(2) 0.73252(10) 0.66538(5) 0.0537(3) Uani 1 1 d . . . . .
F2 F 1.11101(16) 0.71355(9) 0.74782(5) 0.0473(3) Uani 1 1 d . . . . .
F3 F 0.85248(17) 0.83563(8) 0.73104(5) 0.0471(3) Uani 1 1 d . . . . .
O1 O 0.6021(2) 0.31179(12) 0.50769(6) 0.0498(4) Uani 1 1 d . . . . .
O2 O 0.2587(2) 0.36988(12) 0.52301(5) 0.0438(4) Uani 1 1 d . . . . .
C1 C 0.6808(3) 0.56448(14) 0.67845(7) 0.0268(4) Uani 1 1 d . . . . .
C2 C 0.4724(3) 0.58059(16) 0.65288(7) 0.0325(4) Uani 1 1 d . . . . .
H2 H 0.375922 0.636775 0.667173 0.039 Uiso 1 1 calc R U . . .
C3 C 0.4034(3) 0.51591(15) 0.60685(7) 0.0326(4) Uani 1 1 d . . . . .
H3 H 0.259159 0.527036 0.590223 0.039 Uiso 1 1 calc R U . . .
C4 C 0.5432(3) 0.43502(14) 0.58483(7) 0.0282(4) Uani 1 1 d . . . . .
C5 C 0.7530(3) 0.41975(15) 0.60978(7) 0.0334(4) Uani 1 1 d . . . . .
H5 H 0.851063 0.365339 0.594696 0.040 Uiso 1 1 calc R U . . .
C6 C 0.8206(3) 0.48278(15) 0.65626(7) 0.0324(4) Uani 1 1 d . . . . .
H6 H 0.963764 0.470382 0.673299 0.039 Uiso 1 1 calc R U . . .
C7 C 0.7513(3) 0.63558(14) 0.72826(7) 0.0285(4) Uani 1 1 d . . . . .
C8 C 0.9184(3) 0.72795(15) 0.71856(7) 0.0310(4) Uani 1 1 d . . . . .
C9 C 0.6693(3) 0.62107(15) 0.77811(7) 0.0307(4) Uani 1 1 d . . . . .
C10 C 0.7322(3) 0.69203(16) 0.82919(7) 0.0367(4) Uani 1 1 d . . . . .
H10A H 0.601021 0.734499 0.841103 0.044 Uiso 1 1 calc R U . . .
H10B H 0.845784 0.749893 0.820317 0.044 Uiso 1 1 calc R U . . .
C11 C 0.8221(3) 0.61401(17) 0.87622(7) 0.0378(5) Uani 1 1 d . . . . .
H11A H 0.849623 0.662097 0.909897 0.045 Uiso 1 1 calc R U . . .
H11B H 0.965775 0.581839 0.866087 0.045 Uiso 1 1 calc R U . . .
C12 C 0.6703(3) 0.51316(15) 0.89021(7) 0.0328(4) Uani 1 1 d . . . . .
C13 C 0.6064(3) 0.44765(15) 0.83636(7) 0.0352(4) Uani 1 1 d . . . . .
H13A H 0.738982 0.407773 0.823593 0.042 Uiso 1 1 calc R U . . .
H13B H 0.496312 0.387269 0.844357 0.042 Uiso 1 1 calc R U . . .
C14 C 0.5110(3) 0.52468(16) 0.78968(7) 0.0352(4) Uani 1 1 d . . . . .
H14A H 0.482216 0.477550 0.755748 0.042 Uiso 1 1 calc R U . . .
H14B H 0.368835 0.558082 0.800264 0.042 Uiso 1 1 calc R U . . .
C15 C 0.7951(3) 0.43050(19) 0.93017(9) 0.0513(5) Uani 1 1 d . . . . .
H15A H 0.700664 0.363995 0.937888 0.077 Uiso 1 1 calc R U . . .
H15B H 0.835599 0.471325 0.964879 0.077 Uiso 1 1 calc R U . . .
H15C H 0.929108 0.403076 0.913421 0.077 Uiso 1 1 calc R U . . .
C16 C 0.4649(3) 0.55649(19) 0.91775(8) 0.0471(5) Uani 1 1 d . . . . .
H16A H 0.385842 0.612199 0.893208 0.071 Uiso 1 1 calc R U . . .
H16B H 0.509133 0.594482 0.952967 0.071 Uiso 1 1 calc R U . . .
H16C H 0.367989 0.490602 0.924760 0.071 Uiso 1 1 calc R U . . .
C17 C 0.4769(3) 0.36582(15) 0.53466(7) 0.0335(4) Uani 1 1 d . . . . .
C18 C 0.1755(4) 0.30520(19) 0.47484(8) 0.0515(6) Uani 1 1 d . . . . .
H18A H 0.235149 0.338330 0.441405 0.077 Uiso 1 1 calc R U . . .
H18B H 0.013848 0.309674 0.471889 0.077 Uiso 1 1 calc R U . . .
H18C H 0.221193 0.223800 0.478608 0.077 Uiso 1 1 calc R U . . .


_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
F1 C8 1.341(2) . ?
F2 C8 1.341(2) . ?
F3 C8 1.3419(19) . ?
O1 C17 1.201(2) . ?
O2 C17 1.338(2) . ?
O2 C18 1.448(2) . ?
C1 C2 1.387(2) . ?
C1 C6 1.393(2) . ?
C1 C7 1.497(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.383(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(2) . ?
C4 C5 1.388(2) . ?
C4 C17 1.486(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.379(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.496(2) . ?
C7 C9 1.338(2) . ?
C9 C10 1.510(2) . ?
C9 C14 1.504(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.524(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.531(3) . ?
C12 C13 1.534(2) . ?
C12 C15 1.526(3) . ?
C12 C16 1.528(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.523(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?

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
C17 O2 C18 116.55(16) . . ?
C2 C1 C6 118.55(16) . . ?
C2 C1 C7 119.75(15) . . ?
C6 C1 C7 121.70(15) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.85(16) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.40(16) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C5 118.97(16) . . ?
C3 C4 C17 121.99(16) . . ?
C5 C4 C17 119.03(15) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.65(16) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 119.7 . . ?
C5 C6 C1 120.56(16) . . ?
C5 C6 H6 119.7 . . ?
C8 C7 C1 115.36(14) . . ?
C9 C7 C1 123.40(15) . . ?
C9 C7 C8 121.22(16) . . ?
F1 C8 F3 105.57(14) . . ?
F1 C8 C7 112.15(14) . . ?
F2 C8 F1 105.21(14) . . ?
F2 C8 F3 104.91(14) . . ?
F2 C8 C7 114.02(14) . . ?
F3 C8 C7 114.14(14) . . ?
C7 C9 C10 125.27(16) . . ?
C7 C9 C14 122.17(16) . . ?
C14 C9 C10 112.46(14) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 C11 110.66(15) . . ?
H10A C10 H10B 108.1 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C10 C11 H11A 108.6 . . ?
C10 C11 H11B 108.6 . . ?
C10 C11 C12 114.65(15) . . ?
H11A C11 H11B 107.6 . . ?
C12 C11 H11A 108.6 . . ?
C12 C11 H11B 108.6 . . ?
C11 C12 C13 108.21(14) . . ?
C15 C12 C11 109.24(15) . . ?
C15 C12 C13 108.79(16) . . ?
C15 C12 C16 108.41(15) . . ?
C16 C12 C11 111.28(16) . . ?
C16 C12 C13 110.87(15) . . ?
C12 C13 H13A 108.7 . . ?
C12 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C14 C13 C12 114.11(15) . . ?
C14 C13 H13A 108.7 . . ?
C14 C13 H13B 108.7 . . ?
C9 C14 C13 110.32(15) . . ?
C9 C14 H14A 109.6 . . ?
C9 C14 H14B 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 O2 123.50(17) . . ?
O1 C17 C4 124.68(17) . . ?
O2 C17 C4 111.82(15) . . ?
O2 C18 H18A 109.5 . . ?
O2 C18 H18B 109.5 . . ?
O2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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 -1.1(3) . . . . ?
C1 C7 C8 F1 1.9(2) . . . . ?
C1 C7 C8 F2 -117.59(17) . . . . ?
C1 C7 C8 F3 121.85(16) . . . . ?
C1 C7 C9 C10 -178.82(16) . . . . ?
C1 C7 C9 C14 5.1(3) . . . . ?
C2 C1 C6 C5 0.2(3) . . . . ?
C2 C1 C7 C8 -107.08(18) . . . . ?
C2 C1 C7 C9 71.4(2) . . . . ?
C2 C3 C4 C5 0.2(3) . . . . ?
C2 C3 C4 C17 -178.56(16) . . . . ?
C3 C4 C5 C6 0.9(3) . . . . ?
C3 C4 C17 O1 165.01(17) . . . . ?
C3 C4 C17 O2 -15.5(2) . . . . ?
C4 C5 C6 C1 -1.2(3) . . . . ?
C5 C4 C17 O1 -13.7(3) . . . . ?
C5 C4 C17 O2 165.79(15) . . . . ?
C6 C1 C2 C3 0.9(3) . . . . ?
C6 C1 C7 C8 72.0(2) . . . . ?
C6 C1 C7 C9 -109.5(2) . . . . ?
C7 C1 C2 C3 -179.94(15) . . . . ?
C7 C1 C6 C5 -178.91(15) . . . . ?
C7 C9 C10 C11 -121.99(19) . . . . ?
C7 C9 C14 C13 121.00(19) . . . . ?
C8 C7 C9 C10 -0.4(3) . . . . ?
C8 C7 C9 C14 -176.52(15) . . . . ?
C9 C7 C8 F1 -176.68(16) . . . . ?
C9 C7 C8 F2 63.9(2) . . . . ?
C9 C7 C8 F3 -56.7(2) . . . . ?
C9 C10 C11 C12 -53.6(2) . . . . ?
C10 C9 C14 C13 -55.56(19) . . . . ?
C10 C11 C12 C13 51.7(2) . . . . ?
C10 C11 C12 C15 170.03(16) . . . . ?
C10 C11 C12 C16 -70.3(2) . . . . ?
C11 C12 C13 C14 -52.8(2) . . . . ?
C12 C13 C14 C9 55.8(2) . . . . ?
C14 C9 C10 C11 54.4(2) . . . . ?
C15 C12 C13 C14 -171.36(15) . . . . ?
C16 C12 C13 C14 69.5(2) . . . . ?
C17 C4 C5 C6 179.73(16) . . . . ?
C18 O2 C17 O1 -0.4(3) . . . . ?
C18 O2 C17 C4 -179.92(15) . . . . ?

_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 1.350
_oxdiff_exptl_absorpt_empirical_full_min 0.725
