# 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. 
# 
#######################################################################

data_exp_5930
_audit_block_doi                 10.5517/ccdc.csd.cc2nzpt5
_database_code_depnum_ccdc_archive 'CCDC 2472368'
loop_
_audit_author_name
_audit_author_address
'Yuxi Feng'
;Donghua University
China
;
_audit_update_record             
;
2025-07-13 deposited with the CCDC.	2025-11-11 downloaded from the CCDC.
;
_audit_creation_date             2025-05-12
_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         'C19 H18 F3 N O4'
_chemical_formula_sum            'C19 H18 F3 N O4'
_chemical_formula_weight         381.34
_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'
N N 0.0311 0.0180 '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      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                   14.1227(12)
_cell_length_b                   4.9556(4)
_cell_length_c                   25.231(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.714(9)
_cell_angle_gamma                90
_cell_volume                     1753.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1027
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      72.1690
_cell_measurement_theta_min      3.4770
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33328
_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            'clear light colourless'
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0822
_diffrn_reflns_av_unetI/netI     0.1027
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            6098
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.671
_diffrn_reflns_theta_min         3.426
_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 1.000
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     26.00  62.00   1.00    3.00    --   41.11  38.00 120.00   36
  2  ω     31.00 133.00   1.00    8.00    --  107.58 -77.00 150.00  102
  3  ω     47.00 135.00   1.00    8.00    --  107.58 -30.00 -60.00   88
  4  ω     90.00 177.00   1.00    8.00    --  107.58  61.00 -90.00   87
  5  ω     59.00 114.00   1.00    8.00    --  107.58 -61.00 -90.00   55
  6  ω     36.00  69.00   1.00    8.00    --  107.58 -94.00-150.00   33
  7  ω    -96.00 -45.00   1.00    3.00    --  -41.11 125.00  90.00   51
  8  ω    -99.00 -58.00   1.00    3.00    --  -41.11-155.00 121.00   41
  9  ω   -117.00 -14.00   1.00    3.00    --  -41.11 -19.00  90.00  103
 10  ω     78.00 104.00   1.00   15.00    --  107.58 -94.00 -90.00   26
 11  ω    -18.00  14.00   1.00   12.00    --   41.23 -57.00  30.00   32
;
_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      -0.0392718000
_diffrn_orient_matrix_UB_12      -0.1401160000
_diffrn_orient_matrix_UB_13      0.0473673000
_diffrn_orient_matrix_UB_21      -0.0808851000
_diffrn_orient_matrix_UB_22      -0.1250593000
_diffrn_orient_matrix_UB_23      -0.0385036000
_diffrn_orient_matrix_UB_31      0.0631095000
_diffrn_orient_matrix_UB_32      -0.2475939000
_diffrn_orient_matrix_UB_33      -0.0073876000
_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                2133
_reflns_number_total             3416
_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  (Sheldrick, 2015)'
_refine_diff_density_max         0.268
_refine_diff_density_min         -0.321
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         3416
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1106
_refine_ls_R_factor_gt           0.0746
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0901P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1786
_refine_ls_wR_factor_ref         0.2283
_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 Ternary CH refined with riding coordinates:
 C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C14(H14), C15(H15), C16(H16), C17(H17),
 C18(H18)
2.d Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C)
;
_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
F1 F 0.03763(18) 0.2390(6) 0.54290(12) 0.0683(8) Uani 1 1 d . . . . .
F2 F 0.07970(17) 0.5914(5) 0.58964(12) 0.0604(7) Uani 1 1 d . . . . .
F3 F 0.07035(17) 0.2078(6) 0.62828(11) 0.0593(7) Uani 1 1 d . . . . .
O1 O 0.2247(2) 0.7009(6) 0.43653(13) 0.0554(7) Uani 1 1 d . . . . .
O2 O 0.3440(2) 0.0729(5) 0.52548(13) 0.0537(7) Uani 1 1 d . . . . .
O3 O 0.27622(19) -0.0879(5) 0.65811(11) 0.0453(6) Uani 1 1 d . . . . .
O4 O 0.33537(17) 0.2707(5) 0.70664(10) 0.0393(6) Uani 1 1 d . . . . .
N1 N 0.2602(2) 0.3400(6) 0.62618(12) 0.0357(6) Uani 1 1 d . . . . .
H1 H 0.270(2) 0.495(7) 0.6302(14) 0.018(8) Uiso 1 1 d . . . . .
C1 C 0.3137(3) 0.6213(8) 0.42884(16) 0.0476(9) Uani 1 1 d . . . . .
C2 C 0.3639(3) 0.7334(10) 0.38931(18) 0.0559(11) Uani 1 1 d . . . . .
H2 H 0.336839 0.871314 0.367583 0.067 Uiso 1 1 calc R U . . .
C3 C 0.4538(4) 0.6380(10) 0.38284(18) 0.0629(13) Uani 1 1 d . . . . .
H3 H 0.487246 0.716146 0.357155 0.075 Uiso 1 1 calc R U . . .
C4 C 0.4950(3) 0.4297(11) 0.4136(2) 0.0622(13) Uani 1 1 d . . . . .
H4 H 0.554903 0.364479 0.408228 0.075 Uiso 1 1 calc R U . . .
C5 C 0.4452(3) 0.3193(9) 0.45260(18) 0.0519(10) Uani 1 1 d . . . . .
H5 H 0.472362 0.177389 0.473210 0.062 Uiso 1 1 calc R U . . .
C6 C 0.3565(3) 0.4141(8) 0.46175(16) 0.0432(8) Uani 1 1 d . . . . .
C7 C 0.3121(3) 0.2837(7) 0.50649(15) 0.0424(8) Uani 1 1 d . . . . .
C8 C 0.2287(3) 0.4168(7) 0.52878(15) 0.0434(8) Uani 1 1 d . . . . .
H8A H 0.174532 0.420884 0.501365 0.052 Uiso 1 1 calc R U . . .
H8B H 0.245437 0.601845 0.538322 0.052 Uiso 1 1 calc R U . . .
C9 C 0.2003(2) 0.2704(7) 0.57784(15) 0.0388(8) Uani 1 1 d . . . . .
H9 H 0.206196 0.075974 0.571997 0.047 Uiso 1 1 calc R U . . .
C10 C 0.0975(3) 0.3301(8) 0.58477(17) 0.0473(9) Uani 1 1 d . . . . .
C11 C 0.2897(2) 0.1524(6) 0.66298(14) 0.0349(7) Uani 1 1 d . . . . .
C12 C 0.3651(3) 0.0966(8) 0.75216(16) 0.0449(9) Uani 1 1 d . . . . .
H12A H 0.329622 -0.071299 0.748371 0.054 Uiso 1 1 calc R U . . .
H12B H 0.350677 0.183957 0.784667 0.054 Uiso 1 1 calc R U . . .
C13 C 0.4697(2) 0.0371(7) 0.75628(14) 0.0362(7) Uani 1 1 d . . . . .
C14 C 0.5044(3) -0.1564(9) 0.72439(18) 0.0521(10) Uani 1 1 d . . . . .
H14 H 0.462265 -0.250378 0.699955 0.062 Uiso 1 1 calc R U . . .
C15 C 0.6005(3) -0.2128(9) 0.72815(19) 0.0534(10) Uani 1 1 d . . . . .
H15 H 0.622776 -0.343275 0.706181 0.064 Uiso 1 1 calc R U . . .
C16 C 0.6631(3) -0.0777(8) 0.76401(19) 0.0494(9) Uani 1 1 d . . . . .
H16 H 0.727935 -0.116155 0.766701 0.059 Uiso 1 1 calc R U . . .
C17 C 0.6301(3) 0.1125(10) 0.7956(2) 0.0643(13) Uani 1 1 d . . . . .
H17 H 0.672724 0.203196 0.820329 0.077 Uiso 1 1 calc R U . . .
C18 C 0.5343(3) 0.1742(9) 0.79181(19) 0.0546(10) Uani 1 1 d . . . . .
H18 H 0.513085 0.308794 0.813264 0.066 Uiso 1 1 calc R U . . .
C19 C 0.1803(3) 0.9139(9) 0.40456(19) 0.0595(11) Uani 1 1 d . . . . .
H19A H 0.170165 0.857110 0.367958 0.089 Uiso 1 1 calc R U . . .
H19B H 0.220856 1.070007 0.407578 0.089 Uiso 1 1 calc R U . . .
H19C H 0.120231 0.957708 0.416647 0.089 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 C10 1.351(5) . ?
F2 C10 1.327(5) . ?
F3 C10 1.348(5) . ?
O1 C1 1.353(5) . ?
O1 C19 1.428(5) . ?
O2 C7 1.214(5) . ?
O3 C11 1.210(4) . ?
O4 C11 1.345(4) . ?
O4 C12 1.459(4) . ?
N1 H1 0.78(4) . ?
N1 C9 1.443(5) . ?
N1 C11 1.345(5) . ?
C1 C2 1.405(6) . ?
C1 C6 1.411(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.382(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.378(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(6) . ?
C6 C7 1.501(5) . ?
C7 C8 1.514(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.528(5) . ?
C9 H9 0.9800 . ?
C9 C10 1.512(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.497(5) . ?
C13 C14 1.378(5) . ?
C13 C18 1.381(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.379(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.364(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.352(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.380(6) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

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
C1 O1 C19 119.2(3) . . ?
C11 O4 C12 117.0(3) . . ?
C9 N1 H1 115(2) . . ?
C11 N1 H1 124(3) . . ?
C11 N1 C9 121.5(3) . . ?
O1 C1 C2 122.8(4) . . ?
O1 C1 C6 118.0(3) . . ?
C2 C1 C6 119.2(4) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.7(5) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 119.2 . . ?
C4 C3 C2 121.5(4) . . ?
C4 C3 H3 119.2 . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.6(4) . . ?
C5 C4 H4 120.7 . . ?
C4 C5 H5 119.0 . . ?
C6 C5 C4 121.9(5) . . ?
C6 C5 H5 119.0 . . ?
C1 C6 C7 124.6(4) . . ?
C5 C6 C1 118.9(4) . . ?
C5 C6 C7 116.5(4) . . ?
O2 C7 C6 119.9(4) . . ?
O2 C7 C8 119.8(3) . . ?
C6 C7 C8 120.2(3) . . ?
C7 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
C7 C8 C9 112.5(3) . . ?
H8A C8 H8B 107.8 . . ?
C9 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
N1 C9 C8 112.8(3) . . ?
N1 C9 H9 108.1 . . ?
N1 C9 C10 109.4(3) . . ?
C8 C9 H9 108.1 . . ?
C10 C9 C8 110.4(3) . . ?
C10 C9 H9 108.1 . . ?
F1 C10 C9 111.4(3) . . ?
F2 C10 F1 106.9(4) . . ?
F2 C10 F3 106.8(4) . . ?
F2 C10 C9 113.3(3) . . ?
F3 C10 F1 106.0(3) . . ?
F3 C10 C9 112.0(3) . . ?
O3 C11 O4 124.5(3) . . ?
O3 C11 N1 125.3(4) . . ?
O4 C11 N1 110.1(3) . . ?
O4 C12 H12A 109.4 . . ?
O4 C12 H12B 109.4 . . ?
O4 C12 C13 111.2(3) . . ?
H12A C12 H12B 108.0 . . ?
C13 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C14 C13 C12 120.8(3) . . ?
C14 C13 C18 117.9(3) . . ?
C18 C13 C12 121.3(4) . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.0(4) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(4) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.3 . . ?
C17 C16 C15 119.5(4) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 119.5 . . ?
C16 C17 C18 121.1(4) . . ?
C18 C17 H17 119.5 . . ?
C13 C18 H18 119.9 . . ?
C17 C18 C13 120.3(4) . . ?
C17 C18 H18 119.9 . . ?
O1 C19 H19A 109.5 . . ?
O1 C19 H19B 109.5 . . ?
O1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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
O1 C1 C2 C3 -178.5(4) . . . . ?
O1 C1 C6 C5 176.4(3) . . . . ?
O1 C1 C6 C7 -2.9(6) . . . . ?
O2 C7 C8 C9 5.0(5) . . . . ?
O4 C12 C13 C14 -79.7(5) . . . . ?
O4 C12 C13 C18 100.1(4) . . . . ?
N1 C9 C10 F1 -172.8(3) . . . . ?
N1 C9 C10 F2 66.6(4) . . . . ?
N1 C9 C10 F3 -54.3(4) . . . . ?
C1 C2 C3 C4 1.5(6) . . . . ?
C1 C6 C7 O2 164.9(4) . . . . ?
C1 C6 C7 C8 -16.3(5) . . . . ?
C2 C1 C6 C5 -2.8(5) . . . . ?
C2 C1 C6 C7 177.9(3) . . . . ?
C2 C3 C4 C5 -1.5(6) . . . . ?
C3 C4 C5 C6 -0.7(6) . . . . ?
C4 C5 C6 C1 2.8(6) . . . . ?
C4 C5 C6 C7 -177.8(4) . . . . ?
C5 C6 C7 O2 -14.4(5) . . . . ?
C5 C6 C7 C8 164.4(3) . . . . ?
C6 C1 C2 C3 0.7(6) . . . . ?
C6 C7 C8 C9 -173.8(3) . . . . ?
C7 C8 C9 N1 80.8(4) . . . . ?
C7 C8 C9 C10 -156.5(3) . . . . ?
C8 C9 C10 F1 62.6(4) . . . . ?
C8 C9 C10 F2 -58.1(4) . . . . ?
C8 C9 C10 F3 -178.9(3) . . . . ?
C9 N1 C11 O3 6.0(5) . . . . ?
C9 N1 C11 O4 -173.2(3) . . . . ?
C11 O4 C12 C13 102.7(4) . . . . ?
C11 N1 C9 C8 -139.3(3) . . . . ?
C11 N1 C9 C10 97.5(4) . . . . ?
C12 O4 C11 O3 -4.0(5) . . . . ?
C12 O4 C11 N1 175.1(3) . . . . ?
C12 C13 C14 C15 -179.7(4) . . . . ?
C12 C13 C18 C17 178.8(4) . . . . ?
C13 C14 C15 C16 0.4(8) . . . . ?
C14 C13 C18 C17 -1.5(7) . . . . ?
C14 C15 C16 C17 -0.3(8) . . . . ?
C15 C16 C17 C18 -0.7(8) . . . . ?
C16 C17 C18 C13 1.6(8) . . . . ?
C18 C13 C14 C15 0.5(7) . . . . ?
C19 O1 C1 C2 -2.2(6) . . . . ?
C19 O1 C1 C6 178.7(4) . . . . ?

_olex2_date_sample_data_collection 2025-05-12
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.502
_oxdiff_exptl_absorpt_empirical_full_min 0.538
