# 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_fa-32
_database_code_depnum_ccdc_archive 'CCDC 2469480'
loop_
_audit_author_name
_audit_author_address
'xiuwen Jia'
;Shandong Academy of Agricultural Sciences
China
;
_audit_update_record             
;
2025-07-03 deposited with the CCDC.	2025-10-27 downloaded from the CCDC.
;
_audit_creation_date             2021-11-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H25 F N2 O2'
_chemical_formula_sum            'C25 H25 F N2 O2'
_chemical_formula_weight         404.47
_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/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                   11.086(2)
_cell_length_b                   8.3538(9)
_cell_length_c                   22.882(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.994(14)
_cell_angle_gamma                90
_cell_volume                     2111.1(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1156
_cell_measurement_temperature    100.1(5)
_cell_measurement_theta_max      72.7140
_cell_measurement_theta_min      3.8060
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.704
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72564
_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    1.273
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0959
_diffrn_reflns_av_unetI/netI     0.1241
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            8224
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.940
_diffrn_reflns_theta_min         3.878
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.1(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_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    -78.00 -19.00   1.00    4.00    --  -41.11 -38.00 120.00   59
  2  ω   -120.00 -16.00   1.00    4.00    --  -41.11 -19.00  30.00  104
  3  ω    -62.00 -12.00   1.00    4.00    --  -41.11 125.00-180.00   50
  4  ω     35.00 109.00   1.00    5.00    --  107.58 -45.00-120.00   74
  5  ω     50.00  89.00   1.00    5.00    --  107.58 -95.00-180.00   39
  6  ω    113.00 178.00   1.00    5.00    --  107.58  61.00  30.00   65
  7  ω    137.00 164.00   1.00    5.00    --  107.58  15.00  60.00   27
  8  ω     73.00 122.00   1.00    5.00    --  107.58-125.00 150.00   49
  9  ω     37.00 131.00   1.00    5.00    --  107.58 -45.00  60.00   94
 10  ω     55.00 111.00   1.00    5.00    --  107.58  15.00  60.00   56
 11  ω     25.00  91.00   1.00    5.00    --  107.58 -95.00  60.00   66
;
_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      0.0976278000
_diffrn_orient_matrix_UB_12      0.0105218000
_diffrn_orient_matrix_UB_13      0.0521039000
_diffrn_orient_matrix_UB_21      0.0775359000
_diffrn_orient_matrix_UB_22      -0.1234365000
_diffrn_orient_matrix_UB_23      -0.0299933000
_diffrn_orient_matrix_UB_31      0.0625583000
_diffrn_orient_matrix_UB_32      0.1364674000
_diffrn_orient_matrix_UB_33      -0.0309613000
_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                2376
_reflns_number_total             4139
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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         0.253
_refine_diff_density_min         -0.294
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         4139
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.1181
_refine_ls_R_factor_gt           0.0655
_refine_ls_restrained_S_all      0.974
_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)+(0.0561P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1475
_refine_ls_wR_factor_ref         0.1891
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 C23, C24, C26
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
3. Others
 Sof(H24C)=Sof(H24D)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=1-FVAR(1)
 Sof(H24A)=Sof(H24B)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B),
 C24(H24C,H24D)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C13(H13), C14(H14),
 C15(H15), C16(H16), C19(H19), C20(H20)
4.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
;
_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 0.29830(19) 1.1032(2) 0.61153(9) 0.0346(5) Uani 1 1 d . . . . .
O1 O 0.4932(2) 0.3204(3) 0.52505(10) 0.0299(6) Uani 1 1 d . . . . .
O2 O 0.0862(2) 0.6432(3) 0.55768(10) 0.0294(6) Uani 1 1 d . . . . .
N1 N 0.3855(2) 0.4896(3) 0.57811(12) 0.0231(6) Uani 1 1 d . . . . .
N2 N 0.2801(2) 0.5782(3) 0.58569(12) 0.0254(6) Uani 1 1 d . . . . .
C1 C 0.6838(3) 0.9919(4) 0.61066(14) 0.0258(7) Uani 1 1 d . . . . .
C2 C 0.7169(3) 1.0772(4) 0.56220(15) 0.0305(8) Uani 1 1 d . . . . .
H2 H 0.662437 1.148887 0.543261 0.037 Uiso 1 1 calc R U . . .
C3 C 0.8298(3) 1.0565(4) 0.54199(16) 0.0328(8) Uani 1 1 d . . . . .
H3 H 0.850637 1.113770 0.509487 0.039 Uiso 1 1 calc R U . . .
C4 C 0.9125(3) 0.9505(4) 0.57004(16) 0.0325(8) Uani 1 1 d . . . . .
H4 H 0.988756 0.937516 0.556701 0.039 Uiso 1 1 calc R U . . .
C5 C 0.8803(3) 0.8644(4) 0.61797(15) 0.0321(8) Uani 1 1 d . . . . .
H5 H 0.934499 0.791845 0.636554 0.039 Uiso 1 1 calc R U . . .
C6 C 0.7676(3) 0.8862(4) 0.63819(15) 0.0296(8) Uani 1 1 d . . . . .
H6 H 0.747383 0.829226 0.670850 0.036 Uiso 1 1 calc R U . . .
C7 C 0.5586(3) 1.0097(4) 0.63200(15) 0.0280(7) Uani 1 1 d . . . . .
H7A H 0.541038 1.122609 0.636384 0.034 Uiso 1 1 calc R U . . .
H7B H 0.558046 0.959987 0.670280 0.034 Uiso 1 1 calc R U . . .
C8 C 0.4587(3) 0.9336(4) 0.59000(15) 0.0262(7) Uani 1 1 d . . . . .
H8A H 0.456766 0.986010 0.552102 0.031 Uiso 1 1 calc R U . . .
H8B H 0.477301 0.821450 0.584494 0.031 Uiso 1 1 calc R U . . .
C9 C 0.3378(3) 0.9475(4) 0.61292(14) 0.0266(7) Uani 1 1 d . . . . .
C10 C 0.2657(3) 0.8418(4) 0.63556(14) 0.0259(7) Uani 1 1 d . . . . .
H10 H 0.193621 0.881138 0.647887 0.031 Uiso 1 1 calc R U . . .
C11 C 0.2882(3) 0.6628(4) 0.64356(14) 0.0244(7) Uani 1 1 d . . . . .
C12 C 0.4166(3) 0.6179(4) 0.66662(14) 0.0239(7) Uani 1 1 d . . . . .
C13 C 0.4789(3) 0.6583(4) 0.71959(14) 0.0268(7) Uani 1 1 d . . . . .
H13 H 0.444258 0.725005 0.746061 0.032 Uiso 1 1 calc R U . . .
C14 C 0.5944(3) 0.5967(4) 0.73212(15) 0.0286(8) Uani 1 1 d . . . . .
H14 H 0.636855 0.620737 0.767881 0.034 Uiso 1 1 calc R U . . .
C15 C 0.6477(3) 0.4999(4) 0.69247(15) 0.0282(8) Uani 1 1 d . . . . .
H15 H 0.725922 0.462056 0.701882 0.034 Uiso 1 1 calc R U . . .
C16 C 0.5865(3) 0.4578(4) 0.63848(14) 0.0253(7) Uani 1 1 d . . . . .
H16 H 0.622078 0.393912 0.611470 0.030 Uiso 1 1 calc R U . . .
C17 C 0.4689(3) 0.5173(4) 0.62754(14) 0.0236(7) Uani 1 1 d . . . . .
C18 C 0.3976(3) 0.3914(4) 0.53104(14) 0.0237(7) Uani 1 1 d . . . . .
C19 C 0.2883(3) 0.3790(4) 0.49057(15) 0.0298(8) Uani 1 1 d . . . . .
H19 H 0.289694 0.312759 0.457972 0.036 Uiso 1 1 calc R U . . .
C20 C 0.1872(3) 0.4585(4) 0.49845(15) 0.0292(8) Uani 1 1 d . . . . .
H20 H 0.120442 0.445018 0.471366 0.035 Uiso 1 1 calc R U . . .
C21 C 0.1771(3) 0.5663(4) 0.54814(14) 0.0255(7) Uani 1 1 d . . . . .
C22 C 0.1944(3) 0.5946(4) 0.68246(16) 0.0301(8) Uani 1 1 d . . . . .
H22A H 0.206079 0.644926 0.720744 0.036 Uiso 1 1 calc R U . . .
H22B H 0.114137 0.623331 0.665416 0.036 Uiso 1 1 calc R U . . .
C23 C 0.1998(4) 0.4135(4) 0.69059(17) 0.0365(8) Uani 1 1 d . . . . .
H23A H 0.268030 0.387502 0.718378 0.044 Uiso 1 1 calc R U . . .
H23B H 0.213815 0.364183 0.653416 0.044 Uiso 1 1 calc R U . . .
C24 C 0.0845(4) 0.3418(6) 0.71250(19) 0.0506(11) Uani 1 1 d . . . . .
H24A H 0.103204 0.236554 0.728789 0.061 Uiso 0.767(7) 1 calc R U P A 1
H24B H 0.058727 0.408557 0.743779 0.061 Uiso 0.767(7) 1 calc R U P A 1
H24C H 0.081622 0.383833 0.751869 0.061 Uiso 0.233(7) 1 calc R U P A 2
H24D H 0.018359 0.392647 0.688936 0.061 Uiso 0.233(7) 1 calc R U P A 2
C25 C -0.0162(5) 0.3272(6) 0.6662(3) 0.0472(16) Uani 0.767(7) 1 d . . P A 1
H25A H -0.045929 0.431884 0.655210 0.071 Uiso 0.767(7) 1 calc R U P A 1
H25B H -0.080250 0.265269 0.680583 0.071 Uiso 0.767(7) 1 calc R U P A 1
H25C H 0.012066 0.275007 0.632556 0.071 Uiso 0.767(7) 1 calc R U P A 1
C26 C 0.0537(17) 0.197(2) 0.7159(8) 0.053(5) Uani 0.233(7) 1 d . . P A 2
H26A H 0.047492 0.150380 0.677512 0.079 Uiso 0.233(7) 1 calc R U P A 2
H26B H -0.023305 0.190980 0.732027 0.079 Uiso 0.233(7) 1 calc R U P A 2
H26C H 0.113297 0.140698 0.740888 0.079 Uiso 0.233(7) 1 calc R U 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
F1 C9 1.372(4) . ?
O1 C18 1.233(4) . ?
O2 C21 1.231(4) . ?
N1 N2 1.406(4) . ?
N1 C17 1.416(4) . ?
N1 C18 1.370(4) . ?
N2 C11 1.497(4) . ?
N2 C21 1.372(4) . ?
C1 C2 1.394(5) . ?
C1 C6 1.392(5) . ?
C1 C7 1.519(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.383(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.390(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.381(5) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.539(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.485(5) . ?
C9 C10 1.327(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.524(5) . ?
C11 C12 1.522(4) . ?
C11 C22 1.536(5) . ?
C12 C13 1.384(4) . ?
C12 C17 1.390(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.386(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.402(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.398(4) . ?
C18 C19 1.463(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.328(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.463(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.525(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.534(5) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C24 H24D 0.9700 . ?
C24 C25 1.477(6) . ?
C24 C26 1.258(18) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
N2 N1 C17 107.9(2) . . ?
C18 N1 N2 123.5(3) . . ?
C18 N1 C17 128.6(3) . . ?
N1 N2 C11 111.8(2) . . ?
C21 N2 N1 122.7(3) . . ?
C21 N2 C11 124.8(3) . . ?
C2 C1 C7 121.1(3) . . ?
C6 C1 C2 118.2(3) . . ?
C6 C1 C7 120.6(3) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.7(3) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.3(3) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0(3) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 119.3 . . ?
C5 C6 C1 121.3(3) . . ?
C5 C6 H6 119.3 . . ?
C1 C7 H7A 109.0 . . ?
C1 C7 H7B 109.0 . . ?
C1 C7 C8 112.8(3) . . ?
H7A C7 H7B 107.8 . . ?
C8 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 107.9 . . ?
C9 C8 C7 111.7(3) . . ?
C9 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
F1 C9 C8 111.2(3) . . ?
C10 C9 F1 116.0(3) . . ?
C10 C9 C8 132.8(3) . . ?
C9 C10 H10 116.5 . . ?
C9 C10 C11 127.0(3) . . ?
C11 C10 H10 116.5 . . ?
N2 C11 C10 111.1(3) . . ?
N2 C11 C12 99.9(2) . . ?
N2 C11 C22 110.3(3) . . ?
C10 C11 C22 108.7(3) . . ?
C12 C11 C10 114.9(3) . . ?
C12 C11 C22 111.6(3) . . ?
C13 C12 C11 128.6(3) . . ?
C13 C12 C17 120.4(3) . . ?
C17 C12 C11 110.8(3) . . ?
C12 C13 H13 120.9 . . ?
C12 C13 C14 118.2(3) . . ?
C14 C13 H13 120.9 . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.4(3) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 H15 119.3 . . ?
C14 C15 C16 121.4(3) . . ?
C16 C15 H15 119.3 . . ?
C15 C16 H16 121.9 . . ?
C17 C16 C15 116.2(3) . . ?
C17 C16 H16 121.9 . . ?
C12 C17 N1 109.4(3) . . ?
C12 C17 C16 122.3(3) . . ?
C16 C17 N1 128.2(3) . . ?
O1 C18 N1 121.3(3) . . ?
O1 C18 C19 124.7(3) . . ?
N1 C18 C19 114.0(3) . . ?
C18 C19 H19 118.6 . . ?
C20 C19 C18 122.7(3) . . ?
C20 C19 H19 118.6 . . ?
C19 C20 H20 118.8 . . ?
C19 C20 C21 122.4(3) . . ?
C21 C20 H20 118.8 . . ?
O2 C21 N2 120.1(3) . . ?
O2 C21 C20 125.4(3) . . ?
N2 C21 C20 114.5(3) . . ?
C11 C22 H22A 108.6 . . ?
C11 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
C23 C22 C11 114.7(3) . . ?
C23 C22 H22A 108.6 . . ?
C23 C22 H22B 108.6 . . ?
C22 C23 H23A 108.8 . . ?
C22 C23 H23B 108.8 . . ?
C22 C23 C24 113.8(3) . . ?
H23A C23 H23B 107.7 . . ?
C24 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C23 C24 H24A 108.9 . . ?
C23 C24 H24B 108.9 . . ?
C23 C24 H24C 105.0 . . ?
C23 C24 H24D 105.0 . . ?
H24A C24 H24B 107.7 . . ?
H24C C24 H24D 105.8 . . ?
C25 C24 C23 113.4(4) . . ?
C25 C24 H24A 108.9 . . ?
C25 C24 H24B 108.9 . . ?
C26 C24 C23 129.3(11) . . ?
C26 C24 H24C 105.0 . . ?
C26 C24 H24D 105.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
F1 C9 C10 C11 -178.7(3) . . . . ?
O1 C18 C19 C20 -179.5(3) . . . . ?
N1 N2 C11 C10 125.0(3) . . . . ?
N1 N2 C11 C12 3.2(3) . . . . ?
N1 N2 C11 C22 -114.3(3) . . . . ?
N1 N2 C21 O2 178.0(3) . . . . ?
N1 N2 C21 C20 -2.1(4) . . . . ?
N1 C18 C19 C20 1.1(5) . . . . ?
N2 N1 C17 C12 1.6(3) . . . . ?
N2 N1 C17 C16 -178.2(3) . . . . ?
N2 N1 C18 O1 177.3(3) . . . . ?
N2 N1 C18 C19 -3.3(4) . . . . ?
N2 C11 C12 C13 -179.1(3) . . . . ?
N2 C11 C12 C17 -2.2(3) . . . . ?
N2 C11 C22 C23 53.5(4) . . . . ?
C1 C2 C3 C4 -0.3(6) . . . . ?
C1 C7 C8 C9 177.9(3) . . . . ?
C2 C1 C6 C5 -0.7(5) . . . . ?
C2 C1 C7 C8 70.7(4) . . . . ?
C2 C3 C4 C5 0.7(6) . . . . ?
C3 C4 C5 C6 -1.1(5) . . . . ?
C4 C5 C6 C1 1.1(5) . . . . ?
C6 C1 C2 C3 0.3(5) . . . . ?
C6 C1 C7 C8 -107.6(4) . . . . ?
C7 C1 C2 C3 -178.0(3) . . . . ?
C7 C1 C6 C5 177.6(3) . . . . ?
C7 C8 C9 F1 69.8(3) . . . . ?
C7 C8 C9 C10 -107.6(4) . . . . ?
C8 C9 C10 C11 -1.5(6) . . . . ?
C9 C10 C11 N2 -69.9(4) . . . . ?
C9 C10 C11 C12 42.7(5) . . . . ?
C9 C10 C11 C22 168.6(3) . . . . ?
C10 C11 C12 C13 61.9(5) . . . . ?
C10 C11 C12 C17 -121.2(3) . . . . ?
C10 C11 C22 C23 175.6(3) . . . . ?
C11 N2 C21 O2 8.6(5) . . . . ?
C11 N2 C21 C20 -171.5(3) . . . . ?
C11 C12 C13 C14 177.0(3) . . . . ?
C11 C12 C17 N1 0.5(4) . . . . ?
C11 C12 C17 C16 -179.6(3) . . . . ?
C11 C22 C23 C24 -162.0(3) . . . . ?
C12 C11 C22 C23 -56.6(4) . . . . ?
C12 C13 C14 C15 1.3(5) . . . . ?
C13 C12 C17 N1 177.7(3) . . . . ?
C13 C12 C17 C16 -2.5(5) . . . . ?
C13 C14 C15 C16 -1.2(5) . . . . ?
C14 C15 C16 C17 -0.7(5) . . . . ?
C15 C16 C17 N1 -177.6(3) . . . . ?
C15 C16 C17 C12 2.6(5) . . . . ?
C17 N1 N2 C11 -3.2(3) . . . . ?
C17 N1 N2 C21 -173.8(3) . . . . ?
C17 N1 C18 O1 -5.3(5) . . . . ?
C17 N1 C18 C19 174.1(3) . . . . ?
C17 C12 C13 C14 0.4(5) . . . . ?
C18 N1 N2 C11 174.7(3) . . . . ?
C18 N1 N2 C21 4.1(5) . . . . ?
C18 N1 C17 C12 -176.1(3) . . . . ?
C18 N1 C17 C16 4.0(5) . . . . ?
C18 C19 C20 C21 0.5(6) . . . . ?
C19 C20 C21 O2 179.8(3) . . . . ?
C19 C20 C21 N2 -0.1(5) . . . . ?
C21 N2 C11 C10 -64.6(4) . . . . ?
C21 N2 C11 C12 173.6(3) . . . . ?
C21 N2 C11 C22 56.0(4) . . . . ?
C22 C11 C12 C13 -62.5(4) . . . . ?
C22 C11 C12 C17 114.4(3) . . . . ?
C22 C23 C24 C25 77.3(5) . . . . ?
C22 C23 C24 C26 169.3(12) . . . . ?

_olex2_date_sample_data_collection 2021-11-22
_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 1.540
_oxdiff_exptl_absorpt_empirical_full_min 0.603
