# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_zzx-20241218_auto
_database_code_depnum_ccdc_archive 'CCDC 2431401'
_audit_update_record             
;
2025-03-14 deposited with the CCDC.	2025-11-11 downloaded from the CCDC.
;
_audit_creation_date             2024-12-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H22 F N7 Si'
_chemical_formula_sum            'C18 H22 F N7 Si'
_chemical_formula_weight         383.51
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Si1 C1 N1 O1'
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'
Si Si 0.2541 0.3302 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4913(4)
_cell_length_b                   10.7151(5)
_cell_length_c                   11.7151(5)
_cell_angle_alpha                91.967(4)
_cell_angle_beta                 98.500(4)
_cell_angle_gamma                112.009(4)
_cell_volume                     972.68(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4273
_cell_measurement_temperature    169.5(8)
_cell_measurement_theta_max      71.1550
_cell_measurement_theta_min      4.4640
_shelx_estimated_absorpt_T_max   0.697
_shelx_estimated_absorpt_T_min   0.563
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             404
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0164
_diffrn_reflns_av_unetI/netI     0.0274
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6651
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.315
_diffrn_reflns_theta_min         3.834
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.5(8)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00 -42.00   1.00    1.00    --  -35.37 -52.00  34.00   25
  2  ω    -14.00  13.00   1.00    1.00    --  -35.37  52.00 179.00   27
  3  ω    -15.00  11.00   1.00    1.00    --   35.37 -52.00  34.00   26
  4  ω     19.00 101.00   1.00    1.00    --   35.37  52.00 179.00   82
  5  ω    127.00 174.00   1.00    1.71    --  106.81  52.00 179.00   47
  6  ω     39.00 108.00   1.00    1.71    --  106.81 -52.00  34.00   69
  7  ω   -106.00 -78.00   1.00    1.00    --  -35.37 -19.00-180.00   28
  8  ω    -75.00 -20.00   1.00    1.00    --  -35.37 -19.00-180.00   55
  9  ω    -32.00  23.00   1.00    1.00    --   35.37 -57.00 -60.00   55
 10  ω    -36.00   0.00   1.00    1.00    --   35.37 -19.00   0.00   36
 11  ω     16.00  73.00   1.00    1.00    --   35.37 -99.00  60.00   57
 12  ω     25.00  64.00   1.00    1.00    --   35.37 -19.00   0.00   39
 13  ω     12.00  71.00   1.00    1.00    --   35.37 -99.00-120.00   59
 14  ω     26.00  52.00   1.00    1.00    --   35.37 -57.00 -60.00   26
 15  ω     61.00 107.00   1.00    1.00    --   35.37-178.00-120.00   46
 16  ω     42.00  67.00   1.00    1.00    --   35.37 -99.00 -60.00   25
 17  ω     44.00 127.00   1.00    1.71    --  106.81 -30.00  60.00   83
 18  ω    131.00 157.00   1.00    1.71    --  106.81 111.00-180.00   26
 19  ω    107.00 171.00   1.00    1.71    --  106.81 111.00 120.00   64
 20  ω     41.00 105.00   1.00    1.71    --  106.81-111.00  60.00   64
 21  ω     76.00 106.00   1.00    1.71    --  106.81 -94.00  60.00   30
 22  ω     46.00 117.00   1.00    1.71    --  106.81 -61.00-180.00   71
 23  ω     69.00 178.00   1.00    1.71    --  106.81  15.00 120.00  109
 24  ω     44.00 118.00   1.00    1.71    --  106.81 -30.00-120.00   74
 25  ω     64.00 105.00   1.00    1.71    --  106.81-111.00 -30.00   41
 26  ω     72.00 106.00   1.00    1.71    --  106.81-111.00-180.00   34
 27  ω     79.00 108.00   1.00    1.71    --  106.81-111.00-120.00   29
 28  ω     40.00  74.00   1.00    1.71    --  106.81 -94.00-180.00   34
 29  ω     39.00 127.00   1.00    1.71    --  106.81 -30.00 150.00   88
 30  ω     89.00 114.00   1.00    1.71    --  106.81 178.00  60.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1173278000
_diffrn_orient_matrix_UB_12      0.1418767000
_diffrn_orient_matrix_UB_13      -0.0251958000
_diffrn_orient_matrix_UB_21      0.1533891000
_diffrn_orient_matrix_UB_22      -0.0116355000
_diffrn_orient_matrix_UB_23      0.0807991000
_diffrn_orient_matrix_UB_31      0.0467658000
_diffrn_orient_matrix_UB_32      -0.0633762000
_diffrn_orient_matrix_UB_33      -0.1033762000
_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                3355
_reflns_number_total             3682
_reflns_odcompleteness_completeness 99.68
_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 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_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         0.387
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3682
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.058
_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)+(0.0444P)²+0.4140P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1010
_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:
 C5(H5)
2.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C6(H6A,H6B), C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C10(H10), C14(H14), C15(H15), C17(H17), C18(H18)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C)
;
_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
Si1 Si -0.00280(6) 0.74311(4) 0.21252(4) 0.02667(13) Uani 1 1 d . . . . .
F1 F 0.96773(15) 0.23889(14) 0.16589(12) 0.0541(3) Uani 1 1 d . . . . .
N1 N 0.6730(2) 0.91437(16) 0.42236(14) 0.0396(4) Uani 1 1 d . . . . .
N2 N 0.8166(2) 0.98992(16) 0.40440(14) 0.0364(4) Uani 1 1 d . . . . .
N3 N 0.9527(2) 1.0545(2) 0.39356(18) 0.0538(5) Uani 1 1 d . . . . .
N4 N 0.42613(18) 0.71626(13) 0.15881(12) 0.0277(3) Uani 1 1 d . . . . .
N5 N 0.41664(17) 0.48879(13) 0.13510(12) 0.0253(3) Uani 1 1 d . . . . .
N6 N 0.34590(17) 0.36952(13) 0.30454(12) 0.0231(3) Uani 1 1 d . . . . .
N7 N 0.31289(18) 0.53111(14) 0.41529(12) 0.0260(3) Uani 1 1 d . . . . .
C1 C -0.1029(3) 0.6870(2) 0.34264(18) 0.0463(5) Uani 1 1 d . . . . .
H1A H -0.226379 0.633022 0.318299 0.069 Uiso 1 1 calc R U . . .
H1B H -0.087341 0.766332 0.394051 0.069 Uiso 1 1 calc R U . . .
H1C H -0.047745 0.632013 0.384000 0.069 Uiso 1 1 calc R U . . .
C2 C -0.0264(3) 0.59286(19) 0.11718(17) 0.0420(5) Uani 1 1 d . . . . .
H2A H 0.032058 0.540651 0.159565 0.063 Uiso 1 1 calc R U . . .
H2B H 0.025337 0.622447 0.048409 0.063 Uiso 1 1 calc R U . . .
H2C H -0.149091 0.536185 0.093237 0.063 Uiso 1 1 calc R U . . .
C3 C -0.1070(3) 0.8453(2) 0.1274(2) 0.0509(5) Uani 1 1 d . . . . .
H3A H -0.051120 0.873677 0.059987 0.076 Uiso 1 1 calc R U . . .
H3B H -0.094633 0.925453 0.176588 0.076 Uiso 1 1 calc R U . . .
H3C H -0.229733 0.790321 0.101153 0.076 Uiso 1 1 calc R U . . .
C4 C 0.2271(2) 0.86174(16) 0.25730(15) 0.0283(4) Uani 1 1 d . . . . .
H4A H 0.270321 0.894186 0.185437 0.034 Uiso 1 1 calc R U . . .
H4B H 0.226009 0.941141 0.302445 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3639(2) 0.81915(15) 0.32780(14) 0.0258(3) Uani 1 1 d . . . . .
H5 H 0.328676 0.792293 0.403951 0.031 Uiso 1 1 calc R U . . .
C6 C 0.5317(2) 0.94216(17) 0.34954(16) 0.0329(4) Uani 1 1 d . . . . .
H6A H 0.566260 0.970046 0.274344 0.039 Uiso 1 1 calc R U . . .
H6B H 0.514147 1.017844 0.389099 0.039 Uiso 1 1 calc R U . . .
C7 C 0.38405(19) 0.70164(15) 0.26507(13) 0.0220(3) Uani 1 1 d . . . . .
C8 C 0.4392(2) 0.61109(17) 0.10068(14) 0.0287(4) Uani 1 1 d . . . . .
H8 H 0.468179 0.625564 0.025618 0.034 Uiso 1 1 calc R U . . .
C9 C 0.37736(19) 0.47881(15) 0.24122(13) 0.0208(3) Uani 1 1 d . . . . .
C10 C 0.3084(2) 0.40778(16) 0.40645(14) 0.0268(3) Uani 1 1 d . . . . .
H10 H 0.281299 0.349372 0.466094 0.032 Uiso 1 1 calc R U . . .
C11 C 0.35790(18) 0.57922(15) 0.31079(13) 0.0205(3) Uani 1 1 d . . . . .
C12 C 0.3401(2) 0.23617(15) 0.26647(16) 0.0298(4) Uani 1 1 d . . . . .
H12A H 0.250193 0.197840 0.196504 0.036 Uiso 1 1 calc R U . . .
H12B H 0.306772 0.175389 0.328102 0.036 Uiso 1 1 calc R U . . .
C13 C 0.5104(2) 0.24006(14) 0.23900(14) 0.0228(3) Uani 1 1 d . . . . .
C14 C 0.5163(2) 0.18066(16) 0.13356(14) 0.0274(3) Uani 1 1 d . . . . .
H14 H 0.413690 0.140461 0.077777 0.033 Uiso 1 1 calc R U . . .
C15 C 0.6710(2) 0.17929(18) 0.10854(15) 0.0329(4) Uani 1 1 d . . . . .
H15 H 0.675473 0.138304 0.036543 0.039 Uiso 1 1 calc R U . . .
C16 C 0.8158(2) 0.23850(18) 0.19041(17) 0.0334(4) Uani 1 1 d . . . . .
C17 C 0.8165(2) 0.29970(18) 0.29555(17) 0.0333(4) Uani 1 1 d . . . . .
H17 H 0.920136 0.340562 0.350277 0.040 Uiso 1 1 calc R U . . .
C18 C 0.6609(2) 0.30013(16) 0.31964(15) 0.0276(3) Uani 1 1 d . . . . .
H18 H 0.657830 0.341806 0.391715 0.033 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
Si1 C1 1.8631(19) . ?
Si1 C2 1.8569(19) . ?
Si1 C3 1.876(2) . ?
Si1 C4 1.8690(17) . ?
F1 C16 1.3613(18) . ?
N1 N2 1.238(2) . ?
N1 C6 1.496(2) . ?
N2 N3 1.132(2) . ?
N4 C7 1.343(2) . ?
N4 C8 1.345(2) . ?
N5 C8 1.337(2) . ?
N5 C9 1.332(2) . ?
N6 C9 1.3699(19) . ?
N6 C10 1.368(2) . ?
N6 C12 1.4629(19) . ?
N7 C10 1.308(2) . ?
N7 C11 1.3945(19) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.543(2) . ?
C5 H5 1.0000 . ?
C5 C6 1.515(2) . ?
C5 C7 1.513(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C11 1.386(2) . ?
C8 H8 0.9500 . ?
C9 C11 1.401(2) . ?
C10 H10 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.514(2) . ?
C13 C14 1.386(2) . ?
C13 C18 1.387(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.393(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.364(3) . ?
C16 C17 1.374(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.393(2) . ?
C18 H18 0.9500 . ?

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 Si1 C3 111.50(10) . . ?
C1 Si1 C4 110.32(9) . . ?
C2 Si1 C1 109.52(9) . . ?
C2 Si1 C3 108.63(11) . . ?
C2 Si1 C4 112.62(8) . . ?
C4 Si1 C3 104.16(9) . . ?
N2 N1 C6 111.26(15) . . ?
N3 N2 N1 175.15(19) . . ?
C7 N4 C8 118.67(13) . . ?
C9 N5 C8 111.29(13) . . ?
C9 N6 C12 126.68(13) . . ?
C10 N6 C9 105.84(12) . . ?
C10 N6 C12 127.31(13) . . ?
C10 N7 C11 103.54(13) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 106.7 . . ?
Si1 C4 H4B 106.7 . . ?
H4A C4 H4B 106.6 . . ?
C5 C4 Si1 122.40(11) . . ?
C5 C4 H4A 106.7 . . ?
C5 C4 H4B 106.7 . . ?
C4 C5 H5 108.9 . . ?
C6 C5 C4 107.00(13) . . ?
C6 C5 H5 108.9 . . ?
C7 C5 C4 111.97(13) . . ?
C7 C5 H5 108.9 . . ?
C7 C5 C6 111.02(13) . . ?
N1 C6 C5 111.76(14) . . ?
N1 C6 H6A 109.3 . . ?
N1 C6 H6B 109.3 . . ?
C5 C6 H6A 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
N4 C7 C5 118.11(13) . . ?
N4 C7 C11 118.58(13) . . ?
C11 C7 C5 123.30(14) . . ?
N4 C8 H8 115.9 . . ?
N5 C8 N4 128.26(14) . . ?
N5 C8 H8 115.9 . . ?
N5 C9 N6 127.79(14) . . ?
N5 C9 C11 126.47(14) . . ?
N6 C9 C11 105.74(13) . . ?
N6 C10 H10 122.6 . . ?
N7 C10 N6 114.70(14) . . ?
N7 C10 H10 122.6 . . ?
N7 C11 C9 110.17(13) . . ?
C7 C11 N7 133.10(14) . . ?
C7 C11 C9 116.72(14) . . ?
N6 C12 H12A 109.0 . . ?
N6 C12 H12B 109.0 . . ?
N6 C12 C13 113.01(13) . . ?
H12A C12 H12B 107.8 . . ?
C13 C12 H12A 109.0 . . ?
C13 C12 H12B 109.0 . . ?
C14 C13 C12 119.97(15) . . ?
C14 C13 C18 119.48(14) . . ?
C18 C13 C12 120.54(14) . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.68(16) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 121.0 . . ?
C16 C15 C14 118.06(16) . . ?
C16 C15 H15 121.0 . . ?
F1 C16 C15 118.31(16) . . ?
F1 C16 C17 118.39(17) . . ?
C15 C16 C17 123.29(15) . . ?
C16 C17 H17 120.9 . . ?
C16 C17 C18 118.10(17) . . ?
C18 C17 H17 120.9 . . ?
C13 C18 C17 120.38(15) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 H18 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
Si1 C4 C5 C6 -178.70(12) . . . . ?
Si1 C4 C5 C7 59.45(18) . . . . ?
F1 C16 C17 C18 179.37(15) . . . . ?
N2 N1 C6 C5 154.45(16) . . . . ?
N4 C7 C11 N7 -179.46(16) . . . . ?
N4 C7 C11 C9 -0.2(2) . . . . ?
N5 C9 C11 N7 178.68(14) . . . . ?
N5 C9 C11 C7 -0.8(2) . . . . ?
N6 C9 C11 N7 -0.69(17) . . . . ?
N6 C9 C11 C7 179.84(13) . . . . ?
N6 C12 C13 C14 -128.24(16) . . . . ?
N6 C12 C13 C18 53.2(2) . . . . ?
C1 Si1 C4 C5 61.65(16) . . . . ?
C2 Si1 C4 C5 -61.05(16) . . . . ?
C3 Si1 C4 C5 -178.57(14) . . . . ?
C4 C5 C6 N1 177.42(14) . . . . ?
C4 C5 C7 N4 57.50(19) . . . . ?
C4 C5 C7 C11 -121.16(16) . . . . ?
C5 C7 C11 N7 -0.8(3) . . . . ?
C5 C7 C11 C9 178.49(14) . . . . ?
C6 C5 C7 N4 -62.02(19) . . . . ?
C6 C5 C7 C11 119.32(16) . . . . ?
C7 N4 C8 N5 -0.6(3) . . . . ?
C7 C5 C6 N1 -60.13(19) . . . . ?
C8 N4 C7 C5 -177.98(14) . . . . ?
C8 N4 C7 C11 0.7(2) . . . . ?
C8 N5 C9 N6 -179.80(15) . . . . ?
C8 N5 C9 C11 1.0(2) . . . . ?
C9 N5 C8 N4 -0.3(2) . . . . ?
C9 N6 C10 N7 -0.12(19) . . . . ?
C9 N6 C12 C13 62.6(2) . . . . ?
C10 N6 C9 N5 -178.88(16) . . . . ?
C10 N6 C9 C11 0.48(16) . . . . ?
C10 N6 C12 C13 -122.82(17) . . . . ?
C10 N7 C11 C7 179.95(17) . . . . ?
C10 N7 C11 C9 0.61(17) . . . . ?
C11 N7 C10 N6 -0.30(19) . . . . ?
C12 N6 C9 N5 -3.4(3) . . . . ?
C12 N6 C9 C11 176.01(14) . . . . ?
C12 N6 C10 N7 -175.61(15) . . . . ?
C12 C13 C14 C15 -177.78(14) . . . . ?
C12 C13 C18 C17 177.92(14) . . . . ?
C13 C14 C15 C16 -0.3(2) . . . . ?
C14 C13 C18 C17 -0.6(2) . . . . ?
C14 C15 C16 F1 -179.23(15) . . . . ?
C14 C15 C16 C17 -0.3(3) . . . . ?
C15 C16 C17 C18 0.5(3) . . . . ?
C16 C17 C18 C13 0.0(2) . . . . ?
C18 C13 C14 C15 0.8(2) . . . . ?

_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 1.579
_oxdiff_exptl_absorpt_empirical_full_min 0.631
