# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_1744
_database_code_depnum_ccdc_archive 'CCDC 2063261'
loop_
_audit_author_name
_audit_author_address
'Junliang Zhang'
;Fudan University
China
;
_audit_update_record             
;
2021-02-16 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_audit_creation_date             2021-01-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H14 F3 N O'
_chemical_formula_sum            'C17 H14 F3 N O'
_chemical_formula_weight         305.29
_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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_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'
'-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                   17.7969(2)
_cell_length_b                   8.47540(10)
_cell_length_c                   19.13530(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2886.29(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    31343
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      74.2730
_cell_measurement_theta_min      4.5900
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.972
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.11153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.32a (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    1.405
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_unetI/netI     0.0199
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            64042
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.074
_diffrn_reflns_theta_max         67.074
_diffrn_reflns_theta_min         4.622
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -23.00  48.00   1.00    1.00    --    0.00  19.00 -60.00   71
  2  ω     61.00  87.00   1.00    1.00    --    0.00  19.00 -60.00   26
  3  ω    -73.00 -13.00   1.00    1.00    --    0.00 -77.00 -30.00   60
  4  ω    -21.00  86.00   1.00    1.00    --    0.00  57.00-150.00  107
  5  ω    -23.00   5.00   1.00    1.00    --    0.00  77.00  60.00   28
  6  ω    -30.00  24.00   1.00    1.00    --    0.00  77.00 -30.00   54
  7  ω    -22.00  14.00   1.00    1.00    --    0.00  57.00 150.00   36
  8  ω     31.00  85.00   1.00    1.00    --    0.00  77.00  60.00   54
  9  ω     45.00  85.00   1.00    1.00    --    0.00  77.00 -30.00   40
 10  ω    -23.00  37.00   1.00    1.00    --    0.00  19.00  60.00   60
 11  ω     29.00  86.00   1.00    1.00    --    0.00  57.00 150.00   57
 12  ω     50.00  82.00   1.00    1.00    --    0.00  38.00  90.00   32
 13  ω    -19.00  44.00   1.00    1.00    --    0.00  38.00  90.00   63
 14  ω    122.00 184.00   1.00    1.00    --   95.80  77.00 138.28   62
 15  ω     66.00  92.00   1.00    1.00    --   95.80  77.00 138.28   26
 16  ω     67.00  93.00   1.00    1.00    --   95.80  71.00  33.64   26
 17  ω     94.00 185.00   1.00    1.00    --   95.80  78.00  75.17   91
 18  ω     65.00  91.00   1.00    1.00    --   95.80  78.00  75.17   26
 19  ω    153.00 184.00   1.00    1.00    --   95.80  58.00 -98.87   31
 20  ω     71.00  97.00   1.00    1.00    --   95.80  59.00-148.74   26
 21  ω    147.00 172.00   1.00    1.00    --   95.80  61.00-180.00   25
 22  ω     71.00  96.00   1.00    1.00    --   95.80  61.00-180.00   25
 23  ω     75.00 101.00   1.00    1.00    --   95.80  45.00  90.00   26
 24  ω     63.00  88.00   1.00    1.00    --   95.80  82.00-180.00   25
 25  ω     65.00  90.00   1.00    1.00    --   95.80  77.00 120.00   25
 26  ω    107.00 177.00   1.00    1.00    --   95.80  77.00 120.00   70
 27  ω     63.00  88.00   1.00    1.00    --   95.80  82.00-150.00   25
 28  ω     65.00  90.00   1.00    1.00    --   95.80  77.00 -30.00   25
 29  ω     71.00  97.00   1.00    1.00    --   95.80  61.00 -30.00   26
 30  ω    120.00 184.00   1.00    1.00    --   95.80  61.00 -30.00   64
 31  ω    144.00 184.00   1.00    1.00    --   95.80  65.00   2.32   40
 32  ω     82.00 127.00   1.00    1.00    --   95.80 -82.00 150.00   45
 33  ω     31.00  71.00   1.00    1.00    --   95.80 -82.00 150.00   40
 34  ω     70.00  96.00   1.00    1.00    --   95.80  65.00   2.32   26
 35  ω     71.00  96.00   1.00    1.00    --   95.80  58.00 -98.87   25
 36  ω     65.00  90.00   1.00    1.00    --   95.80  77.00 -90.00   25
 37  ω     65.00  91.00   1.00    1.00    --   95.80  77.00  60.00   26
 38  ω     54.00 128.00   1.00    1.00    --   95.80 -82.00-120.00   74
 39  ω     64.00  90.00   1.00    1.00    --   95.80  82.00   0.00   26
 40  ω    160.00 185.00   1.00    1.00    --   95.80  82.00   0.00   25
 41  ω      6.00 128.00   1.00    1.00    --   95.80 -82.00 -60.00  122
 42  ω     63.00  89.00   1.00    1.00    --   95.80  82.00-120.00   26
 43  ω     71.00 184.00   1.00    1.00    --   95.80  59.00-128.88  113
 44  ω    127.00 176.00   1.00    1.00    --   95.80  82.00  30.00   49
 45  ω     64.00  90.00   1.00    1.00    --   95.80  82.00  30.00   26
 46  ω     63.00  88.00   1.00    1.00    --   95.80  82.00 -90.00   25
 47  ω     63.00  88.00   1.00    1.00    --   95.80  82.00 -60.00   25
 48  ω     71.00 127.00   1.00    1.00    --   95.80  61.00 120.00   56
 49  ω     24.00  49.00   1.00    1.00    --   95.80 -82.00-120.00   25
 50  ω     76.00 184.00   1.00    1.00    --   95.80  45.00-150.00  108
 51  ω     71.00 100.00   1.00    1.00    --   95.80  61.00  30.00   29
 52  ω     71.00  97.00   1.00    1.00    --   95.80  61.00  60.00   26
 53  ω    120.00 156.00   1.00    1.00    --   95.80  61.00  60.00   36
 54  ω     65.00  91.00   1.00    1.00    --   95.80  77.00   0.00   26
 55  ω     63.00  89.00   1.00    1.00    --   95.80  82.00 -30.00   26
 56  ω    156.00 181.00   1.00    1.00    --   95.80  82.00 -30.00   25
 57  ω    145.00 178.00   1.00    1.00    --   95.80  76.00 -64.90   33
 58  ω    124.00 167.00   1.00    1.00    --   95.80  45.00   0.00   43
 59  ω     71.00 124.00   1.00    1.00    --   95.80  61.00 150.00   53
 60  ω     66.00  92.00   1.00    1.00    --   95.80  77.00 -60.00   26
 61  ω     65.00  91.00   1.00    1.00    --   95.80  77.00-120.00   26
 62  ω     65.00  91.00   1.00    1.00    --   95.80  77.00  90.00   26
 63  ω     66.00  92.00   1.00    1.00    --   95.80  75.00  30.92   26
 64  ω     75.00 112.00   1.00    1.00    --   95.80  45.00   0.00   37
 65  ω     75.00 173.00   1.00    1.00    --   95.80  45.00 -60.00   98
 66  ω    160.00 185.00   1.00    1.00    --   95.80  77.00-180.00   25
 67  ω     75.00 182.00   1.00    1.00    --   95.80  45.00 -90.00  107
 68  ω     63.00  88.00   1.00    1.00    --   95.80  82.00  60.00   25
 69  ω     65.00  90.00   1.00    1.00    --   95.80  77.00-180.00   25
 70  ω     64.00  90.00   1.00    1.00    --   95.80  80.00 142.46   26
 71  ω     65.00  90.00   1.00    1.00    --   95.80  76.00 -64.90   25
 72  ω     72.00 106.00   1.00    1.00    --   95.80  55.00-130.33   34
 73  ω    142.00 173.00   1.00    1.00    --   95.80  32.00  37.49   31
 74  ω     13.00 127.00   1.00    1.00    --   95.80 -82.00  30.00  114
 75  ω     34.00 126.00   1.00    1.00    --   95.80 -82.00  90.00   92
 76  ω     76.00 101.00   1.00    1.00    --   95.80  32.00  37.49   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0623294000
_diffrn_orient_matrix_UB_12      0.1236941000
_diffrn_orient_matrix_UB_13      -0.0109389000
_diffrn_orient_matrix_UB_21      0.0120048000
_diffrn_orient_matrix_UB_22      -0.0092284000
_diffrn_orient_matrix_UB_23      -0.0796180000
_diffrn_orient_matrix_UB_31      -0.0588165000
_diffrn_orient_matrix_UB_32      -0.1329762000
_diffrn_orient_matrix_UB_33      -0.0046411000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2441
_reflns_number_total             2568
_reflns_odcompleteness_completeness 99.93
_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 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.218
_refine_diff_density_min         -0.220
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2568
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0360
_refine_ls_restrained_S_all      1.082
_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)+(0.0439P)²+1.0938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.0942
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C8(H8)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C17(H17), C16(H16), C4(H4), C13(H13), C2(H2), C3(H3), C15(H15),
 C14(H14)
2.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C)
;
_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 0.33095(5) 0.82174(11) 0.67225(4) 0.0401(2) Uani 1 1 d . . . . .
F2 F 0.29316(5) 0.88493(13) 0.56972(5) 0.0494(3) Uani 1 1 d . . . . .
F3 F 0.37038(5) 1.03522(10) 0.62503(6) 0.0512(3) Uani 1 1 d . . . . .
O1 O 0.56164(6) 0.87687(13) 0.53141(5) 0.0367(3) Uani 1 1 d . . . . .
N1 N 0.39855(7) 0.63249(14) 0.56851(6) 0.0316(3) Uani 1 1 d . . . . .
C6 C 0.50166(7) 0.62206(15) 0.64151(6) 0.0238(3) Uani 1 1 d . . . . .
C12 C 0.61965(7) 0.93104(15) 0.63951(7) 0.0253(3) Uani 1 1 d . . . . .
C7 C 0.48805(7) 0.79687(14) 0.62924(6) 0.0239(3) Uani 1 1 d . . . . .
H7 H 0.476292 0.850632 0.673245 0.029 Uiso 1 1 calc R . . . .
C11 C 0.55743(7) 0.87028(15) 0.59460(6) 0.0255(3) Uani 1 1 d . . . . .
C1 C 0.45010(7) 0.53543(16) 0.60189(6) 0.0259(3) Uani 1 1 d . . . . .
C8 C 0.41890(7) 0.79734(16) 0.57962(7) 0.0271(3) Uani 1 1 d . . . . .
H8 H 0.432440 0.846270 0.534953 0.033 Uiso 1 1 calc R . . . .
C5 C 0.55567(7) 0.54533(16) 0.68088(7) 0.0285(3) Uani 1 1 d . . . . .
H5 H 0.589660 0.602688 0.707667 0.034 Uiso 1 1 calc R . . . .
C17 C 0.61675(7) 0.93189(16) 0.71235(7) 0.0283(3) Uani 1 1 d . . . . .
H17 H 0.575186 0.889995 0.735231 0.034 Uiso 1 1 calc R . . . .
C16 C 0.67560(8) 0.99495(18) 0.75082(8) 0.0336(3) Uani 1 1 d . . . . .
H16 H 0.673779 0.993581 0.799385 0.040 Uiso 1 1 calc R . . . .
C10 C 0.35348(8) 0.88404(17) 0.61175(7) 0.0319(3) Uani 1 1 d . . . . .
C4 C 0.55848(8) 0.38100(17) 0.67990(7) 0.0340(3) Uani 1 1 d . . . . .
H4 H 0.594602 0.327829 0.705963 0.041 Uiso 1 1 calc R . . . .
C13 C 0.68248(8) 0.99480(18) 0.60622(8) 0.0335(3) Uani 1 1 d . . . . .
H13 H 0.685383 0.993717 0.557697 0.040 Uiso 1 1 calc R . . . .
C2 C 0.45259(8) 0.37188(17) 0.60067(7) 0.0333(3) Uani 1 1 d . . . . .
H2 H 0.418502 0.313965 0.574231 0.040 Uiso 1 1 calc R . . . .
C3 C 0.50748(8) 0.29746(17) 0.64012(8) 0.0371(3) Uani 1 1 d . . . . .
H3 H 0.510011 0.187858 0.639759 0.045 Uiso 1 1 calc R . . . .
C15 C 0.73687(8) 1.05974(19) 0.71713(8) 0.0391(4) Uani 1 1 d . . . . .
H15 H 0.775831 1.103617 0.743043 0.047 Uiso 1 1 calc R . . . .
C9 C 0.36335(8) 0.5845(2) 0.50337(7) 0.0385(3) Uani 1 1 d . . . . .
H9A H 0.401295 0.568863 0.468397 0.058 Uiso 1 1 calc GR . . . .
H9B H 0.329159 0.665137 0.488205 0.058 Uiso 1 1 calc GR . . . .
H9C H 0.336332 0.487782 0.510489 0.058 Uiso 1 1 calc GR . . . .
C14 C 0.74043(8) 1.0595(2) 0.64485(8) 0.0417(4) Uani 1 1 d . . . . .
H14 H 0.781823 1.102974 0.622277 0.050 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
F1 C10 1.3340(16) . ?
F2 C10 1.3414(16) . ?
F3 C10 1.3404(17) . ?
O1 C11 1.2127(16) . ?
N1 C1 1.3878(17) . ?
N1 C8 1.4589(17) . ?
N1 C9 1.4530(17) . ?
C6 C7 1.5195(17) . ?
C6 C1 1.3986(18) . ?
C6 C5 1.3836(18) . ?
C12 C11 1.4933(18) . ?
C12 C17 1.3948(19) . ?
C12 C13 1.3957(18) . ?
C7 H7 0.9800 . ?
C7 C11 1.5334(17) . ?
C7 C8 1.5544(17) . ?
C1 C2 1.387(2) . ?
C8 H8 0.9800 . ?
C8 C10 1.5079(19) . ?
C5 H5 0.9300 . ?
C5 C4 1.394(2) . ?
C17 H17 0.9300 . ?
C17 C16 1.3872(19) . ?
C16 H16 0.9300 . ?
C16 C15 1.381(2) . ?
C4 H4 0.9300 . ?
C4 C3 1.380(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.382(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.386(2) . ?
C3 H3 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.385(2) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C14 H14 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
C1 N1 C8 109.66(10) . . ?
C1 N1 C9 120.92(12) . . ?
C9 N1 C8 120.01(11) . . ?
C1 C6 C7 108.88(11) . . ?
C5 C6 C7 130.78(12) . . ?
C5 C6 C1 120.29(12) . . ?
C17 C12 C11 123.33(11) . . ?
C17 C12 C13 118.93(12) . . ?
C13 C12 C11 117.70(12) . . ?
C6 C7 H7 110.8 . . ?
C6 C7 C11 109.51(10) . . ?
C6 C7 C8 102.89(10) . . ?
C11 C7 H7 110.8 . . ?
C11 C7 C8 111.86(10) . . ?
C8 C7 H7 110.8 . . ?
O1 C11 C12 120.81(12) . . ?
O1 C11 C7 119.96(11) . . ?
C12 C11 C7 119.23(10) . . ?
N1 C1 C6 111.84(12) . . ?
C2 C1 N1 127.28(12) . . ?
C2 C1 C6 120.84(12) . . ?
N1 C8 C7 106.45(10) . . ?
N1 C8 H8 109.8 . . ?
N1 C8 C10 109.54(11) . . ?
C7 C8 H8 109.8 . . ?
C10 C8 C7 111.31(11) . . ?
C10 C8 H8 109.8 . . ?
C6 C5 H5 120.4 . . ?
C6 C5 C4 119.16(13) . . ?
C4 C5 H5 120.4 . . ?
C12 C17 H17 119.9 . . ?
C16 C17 C12 120.28(12) . . ?
C16 C17 H17 119.9 . . ?
C17 C16 H16 119.9 . . ?
C15 C16 C17 120.12(13) . . ?
C15 C16 H16 119.9 . . ?
F1 C10 F2 106.38(11) . . ?
F1 C10 F3 106.34(12) . . ?
F1 C10 C8 113.15(11) . . ?
F2 C10 C8 112.09(11) . . ?
F3 C10 F2 106.72(11) . . ?
F3 C10 C8 111.71(11) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 C5 119.76(13) . . ?
C3 C4 H4 120.1 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.48(13) . . ?
C14 C13 H13 119.8 . . ?
C1 C2 H2 121.0 . . ?
C3 C2 C1 117.91(13) . . ?
C3 C2 H2 121.0 . . ?
C4 C3 C2 122.03(13) . . ?
C4 C3 H3 119.0 . . ?
C2 C3 H3 119.0 . . ?
C16 C15 H15 119.9 . . ?
C16 C15 C14 120.13(13) . . ?
C14 C15 H15 119.9 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C13 C14 C15 120.04(13) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?

_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 6.496
_oxdiff_exptl_absorpt_empirical_full_min 0.456
