# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_lq-w1
_database_code_depnum_ccdc_archive 'CCDC 2061710'
loop_
_audit_author_name
_audit_author_address
ww-al
;Southwest Minzu University
China
;
_audit_update_record             
;
2021-02-08 deposited with the CCDC.	2021-04-19 downloaded from the CCDC.
;
_audit_creation_date             2018-09-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H12 F3 N O5'
_chemical_formula_sum            'C17 H12 F3 N O5'
_chemical_formula_weight         367.28
_chemical_absolute_configuration ad
_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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.8743(3)
_cell_length_b                   5.7621(3)
_cell_length_c                   18.0567(7)
_cell_angle_alpha                90
_cell_angle_beta                 93.984(3)
_cell_angle_gamma                90
_cell_volume                     817.31(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2772
_cell_measurement_temperature    297.41(14)
_cell_measurement_theta_max      71.8760
_cell_measurement_theta_min      4.9160
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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    1.492
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             376
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            7559
_diffrn_reflns_point_group_measured_fraction_full 0.921
_diffrn_reflns_point_group_measured_fraction_max 0.899
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.622
_diffrn_reflns_theta_min         4.910
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      297.41(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -31.00   53.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921  -57.0000  -60.0000 84

#__ type_ start__ end____ width___ exp.time_
  2 omega    2.00   29.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921   91.0000   27.9385 27

#__ type_ start__ end____ width___ exp.time_
  3 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921   77.0000  150.0000 94

#__ type_ start__ end____ width___ exp.time_
  4 omega   17.00  105.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921   38.0000  150.0000 88

#__ type_ start__ end____ width___ exp.time_
  5 omega    1.00   75.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921  -99.0000 -120.0000 74

#__ type_ start__ end____ width___ exp.time_
  6 omega   17.00  105.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921   38.0000  -60.0000 88

#__ type_ start__ end____ width___ exp.time_
  7 omega   10.00  104.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921   77.0000 -150.0000 94

#__ type_ start__ end____ width___ exp.time_
  8 omega    1.00   75.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921  -99.0000   30.0000 74

#__ type_ start__ end____ width___ exp.time_
  9 omega   14.00  106.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       36.2921   27.0000   97.0000 92

#__ type_ start__ end____ width___ exp.time_
 10 omega   81.00  176.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -180.0000 95

#__ type_ start__ end____ width___ exp.time_
 11 omega   81.00  176.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -150.0000 95

#__ type_ start__ end____ width___ exp.time_
 12 omega   90.00  175.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000  120.0000 85

#__ type_ start__ end____ width___ exp.time_
 13 omega   87.00  178.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   30.0000 -150.0000 91

#__ type_ start__ end____ width___ exp.time_
 14 omega   39.00  109.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000 -150.0000 70

#__ type_ start__ end____ width___ exp.time_
 15 omega   81.00  176.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000 -120.0000 95

#__ type_ start__ end____ width___ exp.time_
 16 omega   87.00  178.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   30.0000  -90.0000 91

#__ type_ start__ end____ width___ exp.time_
 17 omega   39.00  109.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000    0.0000 70

#__ type_ start__ end____ width___ exp.time_
 18 omega   40.00   98.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000 -150.0000 58

#__ type_ start__ end____ width___ exp.time_
 19 omega   91.00  176.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000 -180.0000 85

#__ type_ start__ end____ width___ exp.time_
 20 omega   81.00  176.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  150.0000 95

#__ type_ start__ end____ width___ exp.time_
 21 omega   38.00   91.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000 -120.0000 53

#__ type_ start__ end____ width___ exp.time_
 22 omega   91.00  176.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000  120.0000 85

#__ type_ start__ end____ width___ exp.time_
 23 omega   81.00  107.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000  120.0000 26

#__ type_ start__ end____ width___ exp.time_
 24 omega   90.00  116.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
 25 omega   92.00  118.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 26 omega   90.00  116.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   30.0000 -120.0000 26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0507148000
_diffrn_orient_matrix_UB_12      -0.0891805000
_diffrn_orient_matrix_UB_13      -0.0789104000
_diffrn_orient_matrix_UB_21      -0.1857210000
_diffrn_orient_matrix_UB_22      -0.0258579000
_diffrn_orient_matrix_UB_23      0.0204857000
_diffrn_orient_matrix_UB_31      -0.0370337000
_diffrn_orient_matrix_UB_32      0.2508153000
_diffrn_orient_matrix_UB_33      -0.0258320000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.656
_reflns_Friedel_fraction_full    0.825
_reflns_Friedel_fraction_max     0.796
_reflns_number_gt                2661
_reflns_number_total             2913
_reflns_odcompleteness_completeness 99.75
_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, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_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         0.370
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 
;
 Flack x determined using 953 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         2913
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0544
_refine_ls_restrained_S_all      1.060
_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)+(0.1043P)²+0.1068P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1560
_refine_ls_wR_factor_ref         0.1620
_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:
 C11(H11), C12(H12)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C1(H1), C9(H9), C4(H4), C3(H3), C6(H6), C5(H5)
2.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
O1 O -1.0384(4) -0.3868(6) -0.77444(18) 0.0741(9) Uani 1 1 d . . . . .
O5 O -0.6341(4) -0.8409(7) -0.86389(17) 0.0754(9) Uani 1 1 d . . . . .
N1 N -1.1066(4) -0.7518(9) -0.7196(2) 0.0775(13) Uani 1 1 d . . . . .
C10 C -0.6528(4) -0.5709(6) -0.70431(16) 0.0450(7) Uani 1 1 d . . . . .
C2 C -0.4472(4) -0.6289(6) -0.59994(17) 0.0444(7) Uani 1 1 d . . . . .
C8 C -0.4336(5) -0.2841(7) -0.6770(2) 0.0529(9) Uani 1 1 d . . . . .
H8 H -0.3807 -0.1459 -0.6887 0.063 Uiso 1 1 calc R . . . .
C1 C -0.5898(4) -0.7012(6) -0.64604(17) 0.0467(8) Uani 1 1 d . . . . .
H1 H -0.6418 -0.8417 -0.6362 0.056 Uiso 1 1 calc R . . . .
C7 C -0.3681(4) -0.4161(6) -0.61541(19) 0.0473(8) Uani 1 1 d . . . . .
C9 C -0.5732(5) -0.3570(7) -0.71941(19) 0.0519(8) Uani 1 1 d . . . . .
H9 H -0.6168 -0.2656 -0.7587 0.062 Uiso 1 1 calc R . . . .
O2 O -1.0730(6) -0.8928(10) -0.6706(2) 0.1108(17) Uani 1 1 d . . . . .
O3 O -1.2273(5) -0.7551(10) -0.7633(2) 0.1088(16) Uani 1 1 d . . . . .
C11 C -0.8101(4) -0.6532(7) -0.74997(17) 0.0493(8) Uani 1 1 d . . . . .
H11 H -0.8151 -0.8231 -0.7491 0.059 Uiso 1 1 calc R . . . .
C4 C -0.2484(5) -0.6832(9) -0.4937(2) 0.0608(10) Uani 1 1 d . . . . .
H4 H -0.2079 -0.7711 -0.4530 0.073 Uiso 1 1 calc R . . . .
F1 F -1.0393(8) -0.0648(8) -0.8850(3) 0.1439(19) Uani 1 1 d . . . . .
O4 O -0.6695(6) -0.5357(9) -0.9370(2) 0.1095(16) Uani 1 1 d . . . . .
C3 C -0.3828(5) -0.7615(7) -0.53789(19) 0.0542(9) Uani 1 1 d . . . . .
H3 H -0.4330 -0.9028 -0.5275 0.065 Uiso 1 1 calc R . . . .
F3 F -0.9640(8) -0.3078(11) -0.9615(2) 0.168(3) Uani 1 1 d . . . . .
C15 C -0.8244(4) -0.5684(7) -0.82946(18) 0.0514(8) Uani 1 1 d . . . . .
C6 C -0.2264(4) -0.3422(8) -0.5685(2) 0.0567(9) Uani 1 1 d . . . . .
H6 H -0.1714 -0.2042 -0.5787 0.068 Uiso 1 1 calc R . . . .
C16 C -0.7029(5) -0.6412(9) -0.88420(19) 0.0582(10) Uani 1 1 d . . . . .
C5 C -0.1704(5) -0.4721(9) -0.5086(2) 0.0626(11) Uani 1 1 d . . . . .
H5 H -0.0795 -0.4198 -0.4774 0.075 Uiso 1 1 calc R . . . .
F2 F -1.1904(7) -0.3425(14) -0.9152(3) 0.181(3) Uani 1 1 d . . . . .
C13 C -0.9540(5) -0.4217(8) -0.8372(2) 0.0609(10) Uani 1 1 d . . . . .
C12 C -0.9763(5) -0.5523(8) -0.7233(2) 0.0613(11) Uani 1 1 d . . . . .
H12 H -0.9549 -0.4813 -0.6742 0.074 Uiso 1 1 calc R . . . .
C14 C -1.0309(8) -0.2803(12) -0.9009(3) 0.0880(16) Uani 1 1 d . . . . .
C17 C -0.5115(8) -0.9357(15) -0.9120(4) 0.104(2) Uani 1 1 d . . . . .
H17A H -0.5629 -0.9486 -0.9616 0.155 Uiso 1 1 calc GR . . . .
H17B H -0.4760 -1.0864 -0.8944 0.155 Uiso 1 1 calc GR . . . .
H17C H -0.4145 -0.8348 -0.9118 0.155 Uiso 1 1 calc GR . . . .


_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
O1 C13 1.368(5) . ?
O1 C12 1.393(6) . ?
O5 C16 1.313(6) . ?
O5 C17 1.450(5) . ?
N1 O2 1.218(6) . ?
N1 O3 1.192(5) . ?
N1 C12 1.545(6) . ?
C10 C1 1.358(5) . ?
C10 C9 1.417(5) . ?
C10 C11 1.516(4) . ?
C2 C1 1.413(5) . ?
C2 C7 1.412(5) . ?
C2 C3 1.420(5) . ?
C8 H8 0.9300 . ?
C8 C7 1.415(5) . ?
C8 C9 1.361(5) . ?
C1 H1 0.9300 . ?
C7 C6 1.418(5) . ?
C9 H9 0.9300 . ?
C11 H11 0.9800 . ?
C11 C15 1.513(5) . ?
C11 C12 1.540(5) . ?
C4 H4 0.9300 . ?
C4 C3 1.357(6) . ?
C4 C5 1.397(7) . ?
F1 C14 1.278(8) . ?
O4 C16 1.175(5) . ?
C3 H3 0.9300 . ?
F3 C14 1.257(7) . ?
C15 C16 1.483(5) . ?
C15 C13 1.325(6) . ?
C6 H6 0.9300 . ?
C6 C5 1.364(6) . ?
C5 H5 0.9300 . ?
F2 C14 1.314(8) . ?
C13 C14 1.503(7) . ?
C12 H12 0.9800 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 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
C13 O1 C12 106.3(3) . . ?
C16 O5 C17 116.2(4) . . ?
O2 N1 C12 114.6(4) . . ?
O3 N1 O2 126.4(5) . . ?
O3 N1 C12 119.0(5) . . ?
C1 C10 C9 119.1(3) . . ?
C1 C10 C11 119.3(3) . . ?
C9 C10 C11 121.5(3) . . ?
C1 C2 C3 122.1(3) . . ?
C7 C2 C1 118.9(3) . . ?
C7 C2 C3 119.0(3) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C9 C8 C7 120.8(3) . . ?
C10 C1 C2 121.7(3) . . ?
C10 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C2 C7 C8 118.7(3) . . ?
C2 C7 C6 118.8(3) . . ?
C8 C7 C6 122.4(4) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 C10 120.7(3) . . ?
C8 C9 H9 119.6 . . ?
C10 C11 H11 109.7 . . ?
C10 C11 C12 113.1(3) . . ?
C15 C11 C10 114.8(3) . . ?
C15 C11 H11 109.7 . . ?
C15 C11 C12 99.6(3) . . ?
C12 C11 H11 109.7 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.8(4) . . ?
C5 C4 H4 119.6 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C16 C15 C11 122.1(3) . . ?
C13 C15 C11 108.2(3) . . ?
C13 C15 C16 129.6(4) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 C7 120.4(4) . . ?
C5 C6 H6 119.8 . . ?
O5 C16 C15 109.5(3) . . ?
O4 C16 O5 124.6(4) . . ?
O4 C16 C15 125.8(5) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.5(4) . . ?
C6 C5 H5 119.7 . . ?
O1 C13 C14 111.2(4) . . ?
C15 C13 O1 114.9(4) . . ?
C15 C13 C14 133.9(4) . . ?
O1 C12 N1 109.5(3) . . ?
O1 C12 C11 108.6(3) . . ?
O1 C12 H12 110.2 . . ?
N1 C12 H12 110.2 . . ?
C11 C12 N1 108.3(4) . . ?
C11 C12 H12 110.2 . . ?
F1 C14 F2 104.2(6) . . ?
F1 C14 C13 112.2(5) . . ?
F3 C14 F1 110.5(7) . . ?
F3 C14 F2 104.3(6) . . ?
F3 C14 C13 115.3(5) . . ?
F2 C14 C13 109.3(6) . . ?
O5 C17 H17A 109.5 . . ?
O5 C17 H17B 109.5 . . ?
O5 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
