# Electronic Supplementary Material (ESI) for Green Chemistry.
# 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_m_rt
_audit_block_doi                 10.5517/ccdc.csd.cc2cztz5
_database_code_depnum_ccdc_archive 'CCDC 2204378'
loop_
_citation_id
_citation_doi
_citation_year
1 10.26434/chemrxiv-2022-9t28v 2022
_audit_update_record             
;
2022-08-30 deposited with the CCDC.	2022-12-02 downloaded from the CCDC.
;
_audit_creation_date             2022-08-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H22 F3 N3'
_chemical_formula_sum            'C26 H22 F3 N3'
_chemical_formula_weight         433.46
_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'
N N 0.0061 0.0033 '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                   9.7050(10)
_cell_length_b                   16.0805(14)
_cell_length_c                   13.7744(13)
_cell_angle_alpha                90
_cell_angle_beta                 93.165(9)
_cell_angle_gamma                90
_cell_volume                     2146.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2759
_cell_measurement_temperature    298
_cell_measurement_theta_max      23.1680
_cell_measurement_theta_min      2.5890
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.995
_exptl_absorpt_coefficient_mu    0.098
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66993
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
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    1.341
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.055
_exptl_crystal_size_mid          0.032
_exptl_crystal_size_min          0.023
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_unetI/netI     0.0593
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.948
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31693
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.854
_diffrn_reflns_theta_min         2.533
_diffrn_ambient_temperature      298
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00 119.00   1.00   30.00    --   29.89  54.00-180.00  188
  2  ω    -69.00 119.00   1.00   30.00    --   29.89  54.00-180.00  188
  3  ω    -69.00 119.00   1.00   30.00    --   29.89  54.00 -90.00  188
  4  ω    -69.00 -44.00   1.00   30.00    --   29.89  54.00  30.00   25
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0303453000
_diffrn_orient_matrix_UB_12      -0.0168481000
_diffrn_orient_matrix_UB_13      0.0437516000
_diffrn_orient_matrix_UB_21      -0.0665822000
_diffrn_orient_matrix_UB_22      -0.0057805000
_diffrn_orient_matrix_UB_23      0.0178095000
_diffrn_orient_matrix_UB_31      -0.0032624000
_diffrn_orient_matrix_UB_32      -0.0403099000
_diffrn_orient_matrix_UB_33      -0.0207323000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2743
_reflns_number_total             7578
_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 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.203
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         7578
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.1980
_refine_ls_R_factor_gt           0.0777
_refine_ls_restrained_S_all      0.992
_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)+(0.1361P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1986
_refine_ls_wR_factor_ref         0.2893
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 F5-C1 \\sim F4-C1
 with sigma of 0.02
 F2-C1 \\sim F3-C1
 with sigma of 0.02
 F1-C1 \\sim F6-C1
 with sigma of 0.02
3. Others
 Fixed Sof: F5(0.5) F1(0.5) F2(0.5) F4(0.5) F3(0.5) F6(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C8(H8A,H8B)
4.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C19(H19), C3(H3), C14(H14), C26(H26), C17(H17), C6(H6), C15(H15),
 C22(H22), C7(H7), C25(H25), C16(H16), C24(H24), C23(H23)
;
_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
N001 N 0.36775(18) 0.81385(10) 0.50539(13) 0.0577(5) Uani 1 1 d . . . . .
N002 N 0.40566(18) 0.67621(10) 0.37606(12) 0.0556(5) Uani 1 1 d . . . . .
N003 N 0.39597(18) 0.66063(11) 0.20643(13) 0.0587(5) Uani 1 1 d . . . . .
F5 F 0.3766(15) 1.1132(5) 0.8084(10) 0.142(5) Uani 0.5 1 d D . P A 1
C12 C 0.3910(2) 0.62537(12) 0.29184(16) 0.0546(5) Uani 1 1 d . . . . .
C13 C 0.3729(2) 0.53697(13) 0.30518(16) 0.0587(5) Uani 1 1 d . . . . .
C5 C 0.3706(2) 0.86873(13) 0.58518(16) 0.0560(5) Uani 1 1 d . . . . .
C20 C 0.3794(2) 0.61346(13) 0.12320(16) 0.0594(6) Uani 1 1 d . . . . .
C21 C 0.3836(2) 0.66178(15) 0.03141(16) 0.0616(6) Uani 1 1 d . . . . .
F1 F 0.2732(14) 1.0225(9) 0.8879(11) 0.178(7) Uani 0.5 1 d D . P A 1
C4 C 0.2525(2) 0.88120(14) 0.63614(17) 0.0661(6) Uani 1 1 d . . . . .
H4 H 0.172004 0.852751 0.617298 0.079 Uiso 1 1 calc R U . . .
C9 C 0.2755(2) 0.68845(13) 0.42423(16) 0.0619(6) Uani 1 1 d . . . . .
H9A H 0.233207 0.634880 0.435440 0.074 Uiso 1 1 calc R U . . .
H9B H 0.212167 0.720691 0.382273 0.074 Uiso 1 1 calc R U . . .
C10 C 0.4948(2) 0.80351(13) 0.45431(17) 0.0622(6) Uani 1 1 d . . . . .
H10A H 0.561333 0.772511 0.495113 0.075 Uiso 1 1 calc R U . . .
H10B H 0.534018 0.857733 0.441963 0.075 Uiso 1 1 calc R U . . .
C18 C 0.3547(2) 0.48962(14) 0.21876(18) 0.0636(6) Uani 1 1 d . . . . .
F2 F 0.4878(13) 1.0228(8) 0.8844(8) 0.174(6) Uani 0.5 1 d D . P A 1
C11 C 0.4683(2) 0.75812(13) 0.35895(16) 0.0597(6) Uani 1 1 d . . . . .
H11A H 0.406765 0.790800 0.316159 0.072 Uiso 1 1 calc R U . . .
H11B H 0.554455 0.750801 0.327542 0.072 Uiso 1 1 calc R U . . .
C8 C 0.3010(2) 0.73309(14) 0.51988(17) 0.0656(6) Uani 1 1 d . . . . .
H8A H 0.213913 0.741612 0.549817 0.079 Uiso 1 1 calc R U . . .
H8B H 0.359394 0.699147 0.563373 0.079 Uiso 1 1 calc R U . . .
C19 C 0.3582(2) 0.52970(14) 0.12810(18) 0.0665(6) Uani 1 1 d . . . . .
H19 H 0.346024 0.498890 0.071136 0.080 Uiso 1 1 calc R U . . .
C2 C 0.3690(3) 0.97869(14) 0.74391(17) 0.0660(6) Uani 1 1 d . . . . .
C3 C 0.2527(3) 0.93497(15) 0.71408(17) 0.0697(6) Uani 1 1 d . . . . .
H3 H 0.172505 0.941784 0.747140 0.084 Uiso 1 1 calc R U . . .
C14 C 0.3769(3) 0.49720(14) 0.39600(19) 0.0707(7) Uani 1 1 d . . . . .
H14 H 0.392637 0.528152 0.452559 0.085 Uiso 1 1 calc R U . . .
C26 C 0.4054(3) 0.74692(16) 0.03307(18) 0.0725(7) Uani 1 1 d . . . . .
H26 H 0.418781 0.773839 0.092600 0.087 Uiso 1 1 calc R U . . .
C1 C 0.3730(4) 1.03545(18) 0.8298(2) 0.0810(8) Uani 1 1 d D . . . .
C17 C 0.3351(3) 0.40266(15) 0.2278(2) 0.0821(8) Uani 1 1 d . . . . .
H17 H 0.321474 0.370231 0.172194 0.099 Uiso 1 1 calc R U . . .
C6 C 0.4872(3) 0.91460(17) 0.6145(2) 0.0806(8) Uani 1 1 d . . . . .
H6 H 0.567468 0.908931 0.581271 0.097 Uiso 1 1 calc R U . . .
C15 C 0.3575(3) 0.41274(16) 0.4017(2) 0.0845(8) Uani 1 1 d . . . . .
H15 H 0.358667 0.386781 0.462058 0.101 Uiso 1 1 calc R U . . .
C22 C 0.3646(3) 0.62370(18) -0.05930(18) 0.0810(7) Uani 1 1 d . . . . .
H22 H 0.350383 0.566572 -0.062980 0.097 Uiso 1 1 calc R U . . .
C7 C 0.4848(3) 0.96845(17) 0.6926(2) 0.0851(8) Uani 1 1 d . . . . .
H7 H 0.563931 0.998553 0.710722 0.102 Uiso 1 1 calc R U . . .
C25 C 0.4077(3) 0.79255(19) -0.05125(19) 0.0843(8) Uani 1 1 d . . . . .
H25 H 0.421861 0.849702 -0.048105 0.101 Uiso 1 1 calc R U . . .
C16 C 0.3361(3) 0.36601(17) 0.3171(2) 0.0897(9) Uani 1 1 d . . . . .
H16 H 0.322233 0.308944 0.321620 0.108 Uiso 1 1 calc R U . . .
C24 C 0.3891(3) 0.7542(2) -0.1400(2) 0.0916(9) Uani 1 1 d . . . . .
H24 H 0.391688 0.785054 -0.196989 0.110 Uiso 1 1 calc R U . . .
C23 C 0.3668(3) 0.6701(2) -0.1441(2) 0.0952(9) Uani 1 1 d . . . . .
H23 H 0.352957 0.643932 -0.204054 0.114 Uiso 1 1 calc R U . . .
F4 F 0.4157(13) 1.1105(5) 0.8104(7) 0.107(3) Uani 0.5 1 d D . P A 2
F3 F 0.4523(14) 1.0114(5) 0.9038(7) 0.140(5) Uani 0.5 1 d D . P A 2
F6 F 0.2485(10) 1.0496(7) 0.8609(9) 0.110(3) Uani 0.5 1 d D . 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
N001 C5 1.409(3) . ?
N001 C10 1.463(3) . ?
N001 C8 1.470(3) . ?
N002 C12 1.420(3) . ?
N002 C9 1.472(3) . ?
N002 C11 1.475(3) . ?
N003 C12 1.309(3) . ?
N003 C20 1.377(3) . ?
F5 C1 1.286(9) . ?
C12 C13 1.445(3) . ?
C13 C18 1.416(3) . ?
C13 C14 1.404(3) . ?
C5 C4 1.391(3) . ?
C5 C6 1.392(3) . ?
C20 C21 1.486(3) . ?
C20 C19 1.365(3) . ?
C21 C26 1.385(3) . ?
C21 C22 1.395(3) . ?
F1 C1 1.307(10) . ?
C4 H4 0.9300 . ?
C4 C3 1.378(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C8 1.509(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.512(3) . ?
C18 C19 1.407(3) . ?
C18 C17 1.418(3) . ?
F2 C1 1.325(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C19 H19 0.9300 . ?
C2 C3 1.373(3) . ?
C2 C1 1.493(4) . ?
C2 C7 1.370(4) . ?
C3 H3 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.374(3) . ?
C26 H26 0.9300 . ?
C26 C25 1.375(3) . ?
C1 F4 1.308(7) . ?
C1 F3 1.302(8) . ?
C1 F6 1.324(9) . ?
C17 H17 0.9300 . ?
C17 C16 1.364(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.381(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.392(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.387(4) . ?
C7 H7 0.9300 . ?
C25 H25 0.9300 . ?
C25 C24 1.372(4) . ?
C16 H16 0.9300 . ?
C24 H24 0.9300 . ?
C24 C23 1.371(4) . ?
C23 H23 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
C5 N001 C10 117.76(16) . . ?
C5 N001 C8 115.94(17) . . ?
C10 N001 C8 110.78(16) . . ?
C12 N002 C9 113.28(16) . . ?
C12 N002 C11 114.03(16) . . ?
C9 N002 C11 108.90(16) . . ?
C12 N003 C20 120.09(19) . . ?
N002 C12 C13 118.02(19) . . ?
N003 C12 N002 118.55(18) . . ?
N003 C12 C13 123.43(19) . . ?
C18 C13 C12 115.6(2) . . ?
C14 C13 C12 124.3(2) . . ?
C14 C13 C18 120.0(2) . . ?
C4 C5 N001 120.18(19) . . ?
C4 C5 C6 117.1(2) . . ?
C6 C5 N001 122.6(2) . . ?
N003 C20 C21 114.39(19) . . ?
C19 C20 N003 120.9(2) . . ?
C19 C20 C21 124.7(2) . . ?
C26 C21 C20 120.9(2) . . ?
C26 C21 C22 117.5(2) . . ?
C22 C21 C20 121.6(2) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 C5 121.2(2) . . ?
C3 C4 H4 119.4 . . ?
N002 C9 H9A 109.5 . . ?
N002 C9 H9B 109.5 . . ?
N002 C9 C8 110.71(18) . . ?
H9A C9 H9B 108.1 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
N001 C10 H10A 109.3 . . ?
N001 C10 H10B 109.3 . . ?
N001 C10 C11 111.39(17) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C13 C18 C17 117.9(2) . . ?
C19 C18 C13 119.4(2) . . ?
C19 C18 C17 122.7(2) . . ?
N002 C11 C10 110.14(17) . . ?
N002 C11 H11A 109.6 . . ?
N002 C11 H11B 109.6 . . ?
C10 C11 H11A 109.6 . . ?
C10 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
N001 C8 C9 110.74(18) . . ?
N001 C8 H8A 109.5 . . ?
N001 C8 H8B 109.5 . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C20 C19 C18 120.5(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C3 C2 C1 122.3(2) . . ?
C7 C2 C3 117.9(2) . . ?
C7 C2 C1 119.7(2) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 C4 121.3(2) . . ?
C2 C3 H3 119.3 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.3(2) . . ?
C15 C14 H14 119.9 . . ?
C21 C26 H26 119.2 . . ?
C25 C26 C21 121.5(2) . . ?
C25 C26 H26 119.2 . . ?
F5 C1 F1 109.0(9) . . ?
F5 C1 F2 104.3(9) . . ?
F5 C1 C2 114.4(6) . . ?
F1 C1 F2 104.8(10) . . ?
F1 C1 C2 113.6(7) . . ?
F2 C1 C2 109.9(6) . . ?
F4 C1 C2 113.4(5) . . ?
F4 C1 F6 102.3(7) . . ?
F3 C1 C2 115.3(5) . . ?
F3 C1 F4 104.7(8) . . ?
F3 C1 F6 107.9(9) . . ?
F6 C1 C2 112.2(6) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 C18 120.7(3) . . ?
C16 C17 H17 119.6 . . ?
C5 C6 H6 119.7 . . ?
C7 C6 C5 120.7(2) . . ?
C7 C6 H6 119.7 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.0(3) . . ?
C16 C15 H15 120.0 . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.7(3) . . ?
C23 C22 H22 119.6 . . ?
C2 C7 C6 121.7(2) . . ?
C2 C7 H7 119.1 . . ?
C6 C7 H7 119.1 . . ?
C26 C25 H25 119.8 . . ?
C24 C25 C26 120.4(3) . . ?
C24 C25 H25 119.8 . . ?
C17 C16 C15 121.0(2) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C25 C24 H24 120.2 . . ?
C23 C24 C25 119.5(3) . . ?
C23 C24 H24 120.2 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.8 . . ?

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
N001 C5 C4 C3 -179.6(2) . . . . ?
N001 C5 C6 C7 179.2(2) . . . . ?
N001 C10 C11 N002 -57.7(2) . . . . ?
N002 C12 C13 C18 178.17(17) . . . . ?
N002 C12 C13 C14 -3.9(3) . . . . ?
N002 C9 C8 N001 58.0(2) . . . . ?
N003 C12 C13 C18 -2.6(3) . . . . ?
N003 C12 C13 C14 175.4(2) . . . . ?
N003 C20 C21 C26 1.2(3) . . . . ?
N003 C20 C21 C22 -178.21(19) . . . . ?
N003 C20 C19 C18 -0.8(3) . . . . ?
C12 N002 C9 C8 172.48(17) . . . . ?
C12 N002 C11 C10 -173.44(17) . . . . ?
C12 N003 C20 C21 178.40(18) . . . . ?
C12 N003 C20 C19 -0.3(3) . . . . ?
C12 C13 C18 C19 1.4(3) . . . . ?
C12 C13 C18 C17 -179.4(2) . . . . ?
C12 C13 C14 C15 179.5(2) . . . . ?
C13 C18 C19 C20 0.2(3) . . . . ?
C13 C18 C17 C16 -1.0(4) . . . . ?
C13 C14 C15 C16 1.0(4) . . . . ?
C5 N001 C10 C11 -167.76(18) . . . . ?
C5 N001 C8 C9 167.09(18) . . . . ?
C5 C4 C3 C2 0.5(4) . . . . ?
C5 C6 C7 C2 0.2(5) . . . . ?
C20 N003 C12 N002 -178.72(17) . . . . ?
C20 N003 C12 C13 2.0(3) . . . . ?
C20 C21 C26 C25 -179.1(2) . . . . ?
C20 C21 C22 C23 179.0(2) . . . . ?
C21 C20 C19 C18 -179.4(2) . . . . ?
C21 C26 C25 C24 -0.5(4) . . . . ?
C21 C22 C23 C24 0.7(4) . . . . ?
C4 C5 C6 C7 1.5(4) . . . . ?
C9 N002 C12 N003 106.8(2) . . . . ?
C9 N002 C12 C13 -73.9(2) . . . . ?
C9 N002 C11 C10 59.0(2) . . . . ?
C10 N001 C5 C4 179.72(19) . . . . ?
C10 N001 C5 C6 2.0(3) . . . . ?
C10 N001 C8 C9 -55.3(2) . . . . ?
C18 C13 C14 C15 -2.6(4) . . . . ?
C18 C17 C16 C15 -0.6(4) . . . . ?
C11 N002 C12 N003 -18.5(3) . . . . ?
C11 N002 C12 C13 160.77(18) . . . . ?
C11 N002 C9 C8 -59.5(2) . . . . ?
C8 N001 C5 C4 -45.7(3) . . . . ?
C8 N001 C5 C6 136.6(2) . . . . ?
C8 N001 C10 C11 55.5(2) . . . . ?
C19 C20 C21 C26 179.8(2) . . . . ?
C19 C20 C21 C22 0.4(3) . . . . ?
C19 C18 C17 C16 178.2(2) . . . . ?
C3 C2 C1 F5 -108.2(8) . . . . ?
C3 C2 C1 F1 17.8(9) . . . . ?
C3 C2 C1 F2 134.9(7) . . . . ?
C3 C2 C1 F4 -126.6(7) . . . . ?
C3 C2 C1 F3 112.6(8) . . . . ?
C3 C2 C1 F6 -11.4(6) . . . . ?
C3 C2 C7 C6 -1.5(4) . . . . ?
C14 C13 C18 C19 -176.7(2) . . . . ?
C14 C13 C18 C17 2.5(3) . . . . ?
C14 C15 C16 C17 0.6(4) . . . . ?
C26 C21 C22 C23 -0.5(4) . . . . ?
C26 C25 C24 C23 0.7(4) . . . . ?
C1 C2 C3 C4 -178.2(2) . . . . ?
C1 C2 C7 C6 177.9(3) . . . . ?
C17 C18 C19 C20 -179.0(2) . . . . ?
C6 C5 C4 C3 -1.8(4) . . . . ?
C22 C21 C26 C25 0.3(4) . . . . ?
C7 C2 C3 C4 1.2(4) . . . . ?
C7 C2 C1 F5 72.3(8) . . . . ?
C7 C2 C1 F1 -161.6(8) . . . . ?
C7 C2 C1 F2 -44.5(8) . . . . ?
C7 C2 C1 F4 53.9(7) . . . . ?
C7 C2 C1 F3 -66.8(8) . . . . ?
C7 C2 C1 F6 169.2(6) . . . . ?
C25 C24 C23 C22 -0.8(4) . . . . ?

_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 1.398
_oxdiff_exptl_absorpt_empirical_full_min 0.837
