# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_1-block_auto
_database_code_depnum_ccdc_archive 'CCDC 2279302'
loop_
_audit_author_name
_audit_author_address
'Lan Wang'
;China Agricultural University
China
;
_audit_update_record             
;
2023-07-05 deposited with the CCDC.	2024-03-05 downloaded from the CCDC.
;
_audit_creation_date             2023-07-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H28 F3 N3 O2'
_chemical_formula_sum            'C33 H28 F3 N3 O2'
_chemical_formula_weight         555.58
_chemical_absolute_configuration rm
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHON
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   8.24050(10)
_cell_length_b                   13.6044(3)
_cell_length_c                   25.8384(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2896.67(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15548
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.3380
_cell_measurement_theta_min      3.4050
_shelx_estimated_absorpt_T_max   0.927
_shelx_estimated_absorpt_T_min   0.861
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58062
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            23629
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        66.575
_diffrn_reflns_theta_max         66.575
_diffrn_reflns_theta_min         4.720
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -130.00 -32.00   0.50    0.20    -- -105.03  80.00-114.00  196
  2  ω    -71.00 -32.00   0.50    0.20    -- -105.03  61.00 -60.00   78
  3  ω    -67.00 -36.00   0.50    0.20    -- -105.03  61.00  90.00   62
  4  ω   -177.00 -91.00   0.50    0.20    -- -105.03 -41.00 -80.00  172
  5  ω    -26.00  29.00   0.50    0.05    --  -46.53  19.00 -30.00  110
  6  ω    -72.00  26.00   0.50    0.05    --  -46.53  80.00-114.00  196
  7  ω    -26.00  29.00   0.50    0.05    --  -46.53  19.00-150.00  110
  8  ω     59.00 100.00   0.50    0.20    --  108.16 -95.00  60.00   82
  9  ω     35.00  71.00   0.50    0.20    --  108.16 -61.00 -60.00   72
 10  ω     95.00 173.00   0.50    0.20    --  108.16  30.00-150.00  156
 11  ω     74.00 120.00   0.50    0.05    --   49.66 125.00  90.00   92
 12  ω     72.00 121.00   0.50    0.05    --   49.66 127.00 129.00   98
 13  ω     72.00 178.00   0.50    0.20    --  108.16 127.00 129.00  212
 14  ω    -25.00   0.00   0.50    0.05    --   48.99 -38.00   0.00   50
 15  ω    -21.00  57.00   0.50    0.05    --   48.99 -77.00 120.00  156
 16  ω      1.00  26.00   0.50    0.05    --   48.99 -19.00 -60.00   50
 17  ω    -12.00  15.00   0.50    0.05    --   48.99 -38.00  60.00   54
 18  ω      7.00  43.00   0.50    0.05    --   48.99 -38.00   0.00   72
 19  ω   -109.00 -79.00   0.50    0.20    -- -105.45 125.00-150.00   60
 20  ω   -169.00-143.00   0.50    0.20    -- -105.45 -15.00   0.00   52
 21  ω    -65.00 -38.00   0.50    0.20    -- -105.45 125.00 -90.00   54
 22  ω   -150.00 -91.00   0.50    0.20    -- -105.45 -45.00 120.00  118
 23  ω   -133.00-107.00   0.50    0.20    -- -105.45 -15.00   0.00   52
 24  ω   -109.00 -72.00   0.50    0.20    -- -105.45 125.00 -90.00   74
 25  ω   -126.00 -99.00   0.50    0.20    -- -105.45 -45.00  30.00   54
 26  ω    -67.00 -39.00   0.50    0.20    -- -105.45 125.00-150.00   56
 27  ω   -163.00-132.00   0.50    0.20    -- -105.45 -45.00  30.00   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1597429000
_diffrn_orient_matrix_UB_12      0.0587326000
_diffrn_orient_matrix_UB_13      0.0027487000
_diffrn_orient_matrix_UB_21      -0.0135612000
_diffrn_orient_matrix_UB_22      -0.0034143000
_diffrn_orient_matrix_UB_23      -0.0594253000
_diffrn_orient_matrix_UB_31      -0.0963017000
_diffrn_orient_matrix_UB_32      -0.0967383000
_diffrn_orient_matrix_UB_33      0.0037941000
_diffrn_oxdiff_digest_frames     
;
01cffd2d7ae102b0b17999a25f7f8e9074016364a35
;
_diffrn_oxdiff_digest_hkl        
;
0168abe15dfbeb0477a6134bfc8a6185a864a8
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.744
_reflns_Friedel_fraction_full    0.985
_reflns_Friedel_fraction_max     0.985
_reflns_number_gt                4504
_reflns_number_total             5083
_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 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.311
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 
;
 Flack x determined using 1754 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.10(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5083
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.037
_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)+(0.0840P)²+0.1840P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1293
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Riding coordinates:
 N2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C18(H18A,H18B), C27(H27A,H27B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C25(H25), C7(H7), C9(H9), C24(H24), C22(H22), C15(H15), C11(H11),
 C23(H23), C6(H6), C13(H13), C12(H12), C3(H3), C14(H14), C33(H33), C5(H5),
 C29(H29), C30(H30), C4(H4), C31(H31), C32(H32)
;
_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
O2 O 0.7624(2) 0.6511(2) 0.24587(8) 0.0775(7) Uani 1 1 d . . . . .
O1 O 0.2920(3) 0.53786(19) 0.15375(9) 0.0807(7) Uani 1 1 d . . . . .
F3 F 0.4942(3) 0.9367(2) 0.11878(11) 0.1172(9) Uani 1 1 d . . . . .
N3 N 0.6540(3) 0.7463(2) 0.31095(9) 0.0618(6) Uani 1 1 d . . . . .
N1 N 0.0487(3) 0.60592(18) 0.17220(8) 0.0584(5) Uani 1 1 d . . . . .
H1 H -0.012314 0.624986 0.197278 0.070 Uiso 1 1 calc R . . . .
N2 N 0.4506(3) 0.7162(2) 0.19362(8) 0.0615(6) Uani 1 1 d . . . . .
H2 H 0.351336 0.712127 0.183575 0.074 Uiso 1 1 d R . . . .
C20 C 0.3911(3) 0.7637(2) 0.28354(10) 0.0536(6) Uani 1 1 d . . . . .
C21 C 0.5024(3) 0.7913(2) 0.32108(10) 0.0553(6) Uani 1 1 d . . . . .
C1 C 0.1941(3) 0.5688(2) 0.18569(11) 0.0580(6) Uani 1 1 d . . . . .
C26 C 0.6480(3) 0.6915(2) 0.26668(10) 0.0584(7) Uani 1 1 d . . . . .
C8 C 0.2311(3) 0.56581(19) 0.24250(11) 0.0561(6) Uani 1 1 d . . . . .
C17 C 0.4685(3) 0.6898(2) 0.24777(10) 0.0536(6) Uani 1 1 d . . . . .
C25 C 0.2392(3) 0.8050(2) 0.28290(12) 0.0616(7) Uani 1 1 d . . . . .
H25 H 0.164729 0.788521 0.257280 0.074 Uiso 1 1 calc R . . . .
C10 C 0.1311(3) 0.5187(2) 0.33229(12) 0.0624(7) Uani 1 1 d . . . . .
C16 C 0.4072(3) 0.5838(2) 0.25622(11) 0.0580(6) Uani 1 1 d . . . . .
H16A H 0.473860 0.539686 0.235770 0.070 Uiso 1 1 calc R . . . .
H16B H 0.423007 0.566724 0.292323 0.070 Uiso 1 1 calc R . . . .
C2 C -0.0165(4) 0.6175(2) 0.12170(10) 0.0604(7) Uani 1 1 d . . . . .
C7 C -0.1802(4) 0.6347(3) 0.11781(12) 0.0707(8) Uani 1 1 d . . . . .
H7 H -0.243747 0.636755 0.147528 0.085 Uiso 1 1 calc R . . . .
C9 C 0.1176(4) 0.5353(2) 0.27580(11) 0.0615(7) Uani 1 1 d . . . . .
H9 H 0.016149 0.522664 0.261505 0.074 Uiso 1 1 calc R . . . .
F2 F 0.3923(6) 0.7987(3) 0.09932(12) 0.1741(19) Uani 1 1 d . . . . .
C24 C 0.1991(4) 0.8723(2) 0.32155(13) 0.0691(8) Uani 1 1 d . . . . .
H24 H 0.097204 0.901710 0.321581 0.083 Uiso 1 1 calc R . . . .
C22 C 0.4643(4) 0.8562(2) 0.36028(12) 0.0695(8) Uani 1 1 d . . . . .
H22 H 0.538944 0.872861 0.385821 0.083 Uiso 1 1 calc R . . . .
C28 C 0.8012(4) 0.7276(3) 0.39395(12) 0.0731(9) Uani 1 1 d . . . . .
C18 C 0.5238(4) 0.8082(3) 0.17763(12) 0.0676(7) Uani 1 1 d . . . . .
H18A H 0.630710 0.795618 0.163425 0.081 Uiso 1 1 calc R . . . .
H18B H 0.536325 0.850772 0.207491 0.081 Uiso 1 1 calc R . . . .
F1 F 0.2856(4) 0.8861(4) 0.1561(2) 0.205(3) Uani 1 1 d . . . . .
C15 C 0.0748(4) 0.4302(3) 0.35241(14) 0.0762(9) Uani 1 1 d . . . . .
H15 H 0.032734 0.382956 0.330095 0.091 Uiso 1 1 calc R . . . .
C11 C 0.1913(4) 0.5879(3) 0.36628(13) 0.0751(8) Uani 1 1 d . . . . .
H11 H 0.229404 0.647608 0.353616 0.090 Uiso 1 1 calc R . . . .
C23 C 0.3092(5) 0.8953(3) 0.35961(14) 0.0757(9) Uani 1 1 d . . . . .
H23 H 0.278610 0.938533 0.385728 0.091 Uiso 1 1 calc R . . . .
C19 C 0.4239(4) 0.8576(3) 0.13874(16) 0.0874(11) Uani 1 1 d . . . . .
C27 C 0.8013(4) 0.7674(3) 0.33977(14) 0.0785(9) Uani 1 1 d . . . . .
H27A H 0.816261 0.838100 0.341227 0.094 Uiso 1 1 calc R . . . .
H27B H 0.893061 0.739884 0.321242 0.094 Uiso 1 1 calc R . . . .
C6 C -0.2511(5) 0.6490(3) 0.06978(14) 0.0847(10) Uani 1 1 d . . . . .
H6 H -0.362092 0.660567 0.067588 0.102 Uiso 1 1 calc R . . . .
C13 C 0.1407(5) 0.4809(4) 0.43789(15) 0.0940(12) Uani 1 1 d . . . . .
H13 H 0.144720 0.468211 0.473235 0.113 Uiso 1 1 calc R . . . .
C12 C 0.1956(5) 0.5696(3) 0.41918(14) 0.0889(11) Uani 1 1 d . . . . .
H12 H 0.235396 0.617026 0.441802 0.107 Uiso 1 1 calc R . . . .
C3 C 0.0756(5) 0.6160(4) 0.07689(13) 0.0979(13) Uani 1 1 d . . . . .
H3 H 0.186866 0.604880 0.078641 0.117 Uiso 1 1 calc R . . . .
C14 C 0.0800(5) 0.4111(3) 0.40473(17) 0.0913(11) Uani 1 1 d . . . . .
H14 H 0.042712 0.351312 0.417531 0.110 Uiso 1 1 calc R . . . .
C33 C 0.7292(6) 0.6403(3) 0.40550(16) 0.0972(12) Uani 1 1 d . . . . .
H33 H 0.675953 0.606178 0.379331 0.117 Uiso 1 1 calc R . . . .
C5 C -0.1610(6) 0.6465(4) 0.02599(14) 0.0981(13) Uani 1 1 d . . . . .
H5 H -0.209619 0.655082 -0.006172 0.118 Uiso 1 1 calc R . . . .
C29 C 0.8829(5) 0.7766(4) 0.43284(17) 0.1110(16) Uani 1 1 d . . . . .
H29 H 0.934115 0.836222 0.426310 0.133 Uiso 1 1 calc R . . . .
C30 C 0.8872(7) 0.7343(7) 0.4826(2) 0.138(3) Uani 1 1 d . . . . .
H30 H 0.942573 0.766181 0.509131 0.166 Uiso 1 1 calc R . . . .
C4 C 0.0019(7) 0.6311(5) 0.02969(14) 0.1109(15) Uani 1 1 d . . . . .
H4 H 0.064599 0.630787 -0.000234 0.133 Uiso 1 1 calc R . . . .
C31 C 0.8118(9) 0.6479(7) 0.4924(2) 0.145(3) Uani 1 1 d . . . . .
H31 H 0.814962 0.621270 0.525555 0.173 Uiso 1 1 calc R . . . .
C32 C 0.7324(9) 0.6004(5) 0.4546(2) 0.132(2) Uani 1 1 d . . . . .
H32 H 0.680027 0.541270 0.461379 0.158 Uiso 1 1 calc R . . . .


_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
O2 C26 1.216(4) . ?
O1 C1 1.228(4) . ?
F3 C19 1.326(5) . ?
N3 C21 1.416(4) . ?
N3 C26 1.366(4) . ?
N3 C27 1.453(4) . ?
N1 C1 1.347(4) . ?
N1 C2 1.420(4) . ?
N2 C17 1.452(3) . ?
N2 C18 1.450(4) . ?
C20 C21 1.386(4) . ?
C20 C17 1.507(4) . ?
C20 C25 1.373(4) . ?
C21 C22 1.380(4) . ?
C1 C8 1.500(4) . ?
C26 C17 1.558(4) . ?
C8 C16 1.514(4) . ?
C8 C9 1.337(4) . ?
C17 C16 1.544(4) . ?
C25 C24 1.394(5) . ?
C10 C9 1.481(4) . ?
C10 C15 1.391(5) . ?
C10 C11 1.380(5) . ?
C2 C7 1.372(5) . ?
C2 C3 1.385(5) . ?
C7 C6 1.385(5) . ?
F2 C19 1.322(6) . ?
C24 C23 1.375(5) . ?
C22 C23 1.384(5) . ?
C28 C27 1.501(5) . ?
C28 C33 1.361(6) . ?
C28 C29 1.381(5) . ?
C18 C19 1.462(5) . ?
F1 C19 1.285(5) . ?
C15 C14 1.377(6) . ?
C11 C12 1.390(5) . ?
C6 C5 1.354(6) . ?
C13 C12 1.376(6) . ?
C13 C14 1.374(7) . ?
C3 C4 1.378(6) . ?
C33 C32 1.379(6) . ?
C5 C4 1.362(7) . ?
C29 C30 1.410(9) . ?
C30 C31 1.353(10) . ?
C31 C32 1.342(9) . ?

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
C21 N3 C27 123.9(3) . . ?
C26 N3 C21 111.0(2) . . ?
C26 N3 C27 124.5(3) . . ?
C1 N1 C2 128.0(2) . . ?
C18 N2 C17 116.5(2) . . ?
C21 C20 C17 109.3(2) . . ?
C25 C20 C21 120.0(3) . . ?
C25 C20 C17 130.6(3) . . ?
C20 C21 N3 109.7(2) . . ?
C22 C21 N3 127.8(3) . . ?
C22 C21 C20 122.5(3) . . ?
O1 C1 N1 122.6(3) . . ?
O1 C1 C8 121.0(3) . . ?
N1 C1 C8 116.4(2) . . ?
O2 C26 N3 126.1(3) . . ?
O2 C26 C17 126.2(3) . . ?
N3 C26 C17 107.7(2) . . ?
C1 C8 C16 114.8(2) . . ?
C9 C8 C1 119.8(3) . . ?
C9 C8 C16 124.7(3) . . ?
N2 C17 C20 112.5(2) . . ?
N2 C17 C26 113.2(2) . . ?
N2 C17 C16 109.5(2) . . ?
C20 C17 C26 101.5(2) . . ?
C20 C17 C16 113.5(2) . . ?
C16 C17 C26 106.3(2) . . ?
C20 C25 C24 118.4(3) . . ?
C15 C10 C9 118.4(3) . . ?
C11 C10 C9 123.4(3) . . ?
C11 C10 C15 118.2(3) . . ?
C8 C16 C17 115.6(2) . . ?
C7 C2 N1 117.3(3) . . ?
C7 C2 C3 118.7(3) . . ?
C3 C2 N1 124.0(3) . . ?
C2 C7 C6 120.3(3) . . ?
C8 C9 C10 129.0(3) . . ?
C23 C24 C25 120.4(3) . . ?
C21 C22 C23 116.5(3) . . ?
C33 C28 C27 121.3(3) . . ?
C33 C28 C29 118.3(4) . . ?
C29 C28 C27 120.3(4) . . ?
N2 C18 C19 111.0(3) . . ?
C14 C15 C10 121.3(4) . . ?
C10 C11 C12 120.8(4) . . ?
C24 C23 C22 122.1(3) . . ?
F3 C19 C18 113.2(3) . . ?
F2 C19 F3 106.1(3) . . ?
F2 C19 C18 111.2(4) . . ?
F1 C19 F3 106.2(4) . . ?
F1 C19 F2 106.1(4) . . ?
F1 C19 C18 113.4(4) . . ?
N3 C27 C28 113.9(3) . . ?
C5 C6 C7 120.9(4) . . ?
C14 C13 C12 120.5(4) . . ?
C13 C12 C11 119.6(4) . . ?
C4 C3 C2 119.7(4) . . ?
C13 C14 C15 119.5(4) . . ?
C28 C33 C32 122.4(4) . . ?
C6 C5 C4 119.1(4) . . ?
C28 C29 C30 118.6(6) . . ?
C31 C30 C29 120.9(5) . . ?
C5 C4 C3 121.3(4) . . ?
C32 C31 C30 120.4(6) . . ?
C31 C32 C33 119.3(6) . . ?

_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 1.394
_oxdiff_exptl_absorpt_empirical_full_min 0.522
