# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_ffffff
_database_code_depnum_ccdc_archive 'CCDC 2130929'
loop_
_audit_author_name
_audit_author_address
'Ding-Chong Han'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2022-04-11 deposited with the CCDC.	2022-04-20 downloaded from the CCDC.
;
_audit_creation_date             2022-04-11
_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         'C6 H5 F3 N, B F4, C12 H24 O6'
_chemical_formula_sum            'C18 H27 B F7 N O6'
_chemical_formula_weight         497.21
_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'
B B 0.0013 0.0007 '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'
O O 0.0106 0.0060 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.4188(4)
_cell_length_b                   16.5033(8)
_cell_length_c                   17.3275(8)
_cell_angle_alpha                90
_cell_angle_beta                 90.263(2)
_cell_angle_gamma                90
_cell_volume                     2407.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9919
_cell_measurement_temperature    294.0
_cell_measurement_theta_max      27.074
_cell_measurement_theta_min      2.955
_shelx_estimated_absorpt_T_max   0.974
_shelx_estimated_absorpt_T_min   0.974
_exptl_absorpt_coefficient_mu    0.134
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6774
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0765 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.9085.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35812
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.492
_diffrn_reflns_theta_min         2.955
_diffrn_ambient_temperature      294.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3207
_reflns_number_total             5488
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.519
_refine_diff_density_min         -0.340
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         5488
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1226
_refine_ls_R_factor_gt           0.0715
_refine_ls_restrained_S_all      1.027
_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)+(0.0754P)²+1.7210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1706
_refine_ls_wR_factor_ref         0.2071
_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,H,H) groups
2. Restrained distances
 F6A-F7A
 1.8 with sigma of 0.01
3. Others
 Sof(F4A)=Sof(F5A)=Sof(F6A)=Sof(F7A)=1-FVAR(1)
 Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B),
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B),
 C12(H12A,H12B)
4.b Aromatic/amide H refined with riding coordinates:
 C15(H15), C17(H17)
4.c Idealised Me refined as rotating group:
 N1(H1C,H1D,H1E)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.3476(3) 0.43794(13) 0.62001(10) 0.0889(6) Uani 1 1 d . . . . .
F2 F 0.1827(3) 0.19924(13) 0.74042(14) 0.1062(8) Uani 1 1 d . . . . .
F3 F 0.4715(3) 0.39270(12) 0.87760(9) 0.0887(7) Uani 1 1 d . . . . .
N1 N 0.4993(2) 0.49271(12) 0.75088(11) 0.0471(5) Uani 1 1 d . . . . .
H1C H 0.5575 0.4976 0.7084 0.057 Uiso 1 1 calc GR . . . .
H1D H 0.5626 0.4938 0.7922 0.057 Uiso 1 1 calc GR . . . .
H1E H 0.4303 0.5335 0.7534 0.057 Uiso 1 1 calc GR . . . .
C13 C 0.4142(3) 0.41683(15) 0.74878(13) 0.0432(5) Uani 1 1 d . . . . .
C14 C 0.3418(3) 0.38966(18) 0.68222(14) 0.0545(7) Uani 1 1 d . . . . .
C15 C 0.2646(3) 0.3169(2) 0.67777(18) 0.0658(8) Uani 1 1 d . . . . .
H15 H 0.2178 0.2992 0.6320 0.079 Uiso 1 1 calc R . . . .
C16 C 0.2593(4) 0.27146(19) 0.7433(2) 0.0674(8) Uani 1 1 d . . . . .
C17 C 0.3242(4) 0.29470(19) 0.81137(18) 0.0655(8) Uani 1 1 d . . . . .
H17 H 0.3160 0.2629 0.8555 0.079 Uiso 1 1 calc R . . . .
C18 C 0.4028(3) 0.36755(17) 0.81196(15) 0.0548(7) Uani 1 1 d . . . . .
F4 F 0.9759(11) 0.3028(6) 0.5229(5) 0.221(4) Uani 0.762(6) 1 d . . P A 1
F4A F 1.0169(18) 0.2288(15) 0.5624(6) 0.149(7) Uani 0.238(6) 1 d . . P A 2
F5 F 1.2019(3) 0.25318(18) 0.49448(16) 0.0928(11) Uani 0.762(6) 1 d . . P A 1
F5A F 0.9977(19) 0.3248(15) 0.459(2) 0.219(15) Uani 0.238(6) 1 d . . P A 2
F6 F 1.0087(5) 0.2479(4) 0.4094(2) 0.1291(18) Uani 0.762(6) 1 d . . P A 1
F6A F 0.8726(18) 0.2399(17) 0.4924(15) 0.225(13) Uani 0.238(6) 1 d D . P A 2
F7 F 1.0026(6) 0.1669(3) 0.5120(5) 0.170(2) Uani 0.762(6) 1 d . . P A 1
F7A F 1.033(3) 0.1903(14) 0.4439(12) 0.265(17) Uani 0.238(6) 1 d D . P A 2
B1 B 1.0395(6) 0.2448(3) 0.4860(2) 0.0776(11) Uani 1 1 d . . . . .
O1 O 0.7455(3) 0.51478(15) 0.86522(12) 0.0749(6) Uani 1 1 d . . . . .
O2 O 0.7833(3) 0.40130(15) 0.74737(15) 0.0847(7) Uani 1 1 d . . . . .
O3 O 0.6937(3) 0.49721(13) 0.61596(12) 0.0712(6) Uani 1 1 d . . . . .
O4 O 0.4728(3) 0.62269(12) 0.63780(11) 0.0672(6) Uani 1 1 d . . . . .
O5 O 0.2496(3) 0.60597(15) 0.75644(13) 0.0788(7) Uani 1 1 d . . . . .
O6 O 0.4484(3) 0.58783(15) 0.88895(12) 0.0771(6) Uani 1 1 d . . . . .
C1 C 0.8499(5) 0.4481(3) 0.8722(2) 0.0987(13) Uani 1 1 d . . . . .
H1A H 0.7939 0.4021 0.8938 0.118 Uiso 1 1 calc R . . . .
H1B H 0.9371 0.4618 0.9065 0.118 Uiso 1 1 calc R . . . .
C2 C 0.9118(5) 0.4271(3) 0.7952(3) 0.1075(14) Uani 1 1 d . . . . .
H2A H 0.9630 0.4740 0.7724 0.129 Uiso 1 1 calc R . . . .
H2B H 0.9898 0.3841 0.7997 0.129 Uiso 1 1 calc R . . . .
C3 C 0.8257(5) 0.3843(2) 0.6704(3) 0.0968(12) Uani 1 1 d . . . . .
H3A H 0.7442 0.3504 0.6473 0.116 Uiso 1 1 calc R . . . .
H3B H 0.9242 0.3538 0.6704 0.116 Uiso 1 1 calc R . . . .
C4 C 0.8460(5) 0.4578(2) 0.6226(2) 0.0942(12) Uani 1 1 d . . . . .
H4A H 0.9224 0.4940 0.6465 0.113 Uiso 1 1 calc R . . . .
H4B H 0.8848 0.4431 0.5718 0.113 Uiso 1 1 calc R . . . .
C5 C 0.7027(4) 0.5729(2) 0.57661(18) 0.0745(9) Uani 1 1 d . . . . .
H5A H 0.7540 0.5655 0.5271 0.089 Uiso 1 1 calc R . . . .
H5B H 0.7655 0.6108 0.6067 0.089 Uiso 1 1 calc R . . . .
C6 C 0.5411(4) 0.6057(2) 0.56482(17) 0.0735(9) Uani 1 1 d . . . . .
H6A H 0.5460 0.6548 0.5342 0.088 Uiso 1 1 calc R . . . .
H6B H 0.4762 0.5665 0.5373 0.088 Uiso 1 1 calc R . . . .
C7 C 0.3150(5) 0.6518(3) 0.6313(2) 0.0911(12) Uani 1 1 d . . . . .
H7A H 0.2471 0.6099 0.6099 0.109 Uiso 1 1 calc R . . . .
H7B H 0.3119 0.6982 0.5970 0.109 Uiso 1 1 calc R . . . .
C8 C 0.2570(5) 0.6755(3) 0.7086(2) 0.0963(12) Uani 1 1 d . . . . .
H8A H 0.3283 0.7152 0.7313 0.116 Uiso 1 1 calc R . . . .
H8B H 0.1525 0.6998 0.7041 0.116 Uiso 1 1 calc R . . . .
C9 C 0.2029(5) 0.6229(3) 0.8337(2) 0.1009(13) Uani 1 1 d . . . . .
H9A H 0.1586 0.5742 0.8564 0.121 Uiso 1 1 calc R . . . .
H9B H 0.1203 0.6639 0.8331 0.121 Uiso 1 1 calc R . . . .
C10 C 0.3357(6) 0.6515(3) 0.8821(2) 0.1056(14) Uani 1 1 d . . . . .
H10A H 0.3847 0.6986 0.8587 0.127 Uiso 1 1 calc R . . . .
H10B H 0.2972 0.6667 0.9328 0.127 Uiso 1 1 calc R . . . .
C11 C 0.5877(5) 0.6137(2) 0.92686(19) 0.0837(11) Uani 1 1 d . . . . .
H11A H 0.5608 0.6373 0.9763 0.100 Uiso 1 1 calc R . . . .
H11B H 0.6403 0.6547 0.8961 0.100 Uiso 1 1 calc R . . . .
C12 C 0.6949(5) 0.5444(2) 0.93854(18) 0.0820(11) Uani 1 1 d . . . . .
H12A H 0.7864 0.5611 0.9688 0.098 Uiso 1 1 calc R . . . .
H12B H 0.6403 0.5018 0.9664 0.098 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 C14 1.342(3) . ?
F2 C16 1.356(3) . ?
F3 C18 1.340(3) . ?
N1 H1C 0.8900 . ?
N1 H1D 0.8900 . ?
N1 H1E 0.8900 . ?
N1 C13 1.443(3) . ?
C13 C14 1.377(3) . ?
C13 C18 1.367(3) . ?
C14 C15 1.368(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.362(4) . ?
C16 C17 1.353(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.372(4) . ?
F4 B1 1.271(6) . ?
F4A B1 1.364(11) . ?
F5 B1 1.381(5) . ?
F5A B1 1.442(18) . ?
F6 B1 1.352(5) . ?
F6A B1 1.413(15) . ?
F7 B1 1.398(6) . ?
F7A B1 1.159(14) . ?
O1 C1 1.413(5) . ?
O1 C12 1.428(4) . ?
O2 C2 1.425(5) . ?
O2 C3 1.410(5) . ?
O3 C4 1.442(4) . ?
O3 C5 1.425(4) . ?
O4 C6 1.419(4) . ?
O4 C7 1.417(4) . ?
O5 C8 1.417(4) . ?
O5 C9 1.425(4) . ?
O6 C10 1.420(5) . ?
O6 C11 1.408(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.477(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.479(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.477(5) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.480(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.472(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.470(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?

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
H1C N1 H1D 109.5 . . ?
H1C N1 H1E 109.5 . . ?
H1D N1 H1E 109.5 . . ?
C13 N1 H1C 109.5 . . ?
C13 N1 H1D 109.5 . . ?
C13 N1 H1E 109.5 . . ?
C14 C13 N1 121.4(2) . . ?
C18 C13 N1 122.2(2) . . ?
C18 C13 C14 116.4(2) . . ?
F1 C14 C13 117.5(2) . . ?
F1 C14 C15 119.7(2) . . ?
C15 C14 C13 122.8(3) . . ?
C14 C15 H15 121.5 . . ?
C16 C15 C14 117.0(3) . . ?
C16 C15 H15 121.5 . . ?
F2 C16 C15 118.1(3) . . ?
C17 C16 F2 118.1(3) . . ?
C17 C16 C15 123.8(3) . . ?
C16 C17 H17 121.7 . . ?
C16 C17 C18 116.6(3) . . ?
C18 C17 H17 121.7 . . ?
F3 C18 C13 117.6(2) . . ?
F3 C18 C17 118.9(2) . . ?
C13 C18 C17 123.4(3) . . ?
F4 B1 F5 106.9(6) . . ?
F4 B1 F6 112.7(5) . . ?
F4 B1 F7 115.8(7) . . ?
F4A B1 F5A 116.9(19) . . ?
F4A B1 F6A 76.7(11) . . ?
F5 B1 F7 106.2(4) . . ?
F6 B1 F5 106.7(4) . . ?
F6 B1 F7 108.0(5) . . ?
F6A B1 F5A 80.6(12) . . ?
F7A B1 F4A 117.0(14) . . ?
F7A B1 F5A 120(2) . . ?
F7A B1 F6A 87.9(9) . . ?
C1 O1 C12 112.2(3) . . ?
C3 O2 C2 114.5(3) . . ?
C5 O3 C4 112.6(3) . . ?
C7 O4 C6 112.3(2) . . ?
C8 O5 C9 113.8(3) . . ?
C11 O6 C10 111.7(3) . . ?
O1 C1 H1A 109.9 . . ?
O1 C1 H1B 109.9 . . ?
O1 C1 C2 109.1(3) . . ?
H1A C1 H1B 108.3 . . ?
C2 C1 H1A 109.9 . . ?
C2 C1 H1B 109.9 . . ?
O2 C2 C1 109.0(3) . . ?
O2 C2 H2A 109.9 . . ?
O2 C2 H2B 109.9 . . ?
C1 C2 H2A 109.9 . . ?
C1 C2 H2B 109.9 . . ?
H2A C2 H2B 108.3 . . ?
O2 C3 H3A 108.9 . . ?
O2 C3 H3B 108.9 . . ?
O2 C3 C4 113.4(3) . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
O3 C4 C3 108.0(3) . . ?
O3 C4 H4A 110.1 . . ?
O3 C4 H4B 110.1 . . ?
C3 C4 H4A 110.1 . . ?
C3 C4 H4B 110.1 . . ?
H4A C4 H4B 108.4 . . ?
O3 C5 H5A 109.7 . . ?
O3 C5 H5B 109.7 . . ?
O3 C5 C6 109.7(3) . . ?
H5A C5 H5B 108.2 . . ?
C6 C5 H5A 109.7 . . ?
C6 C5 H5B 109.7 . . ?
O4 C6 C5 109.0(2) . . ?
O4 C6 H6A 109.9 . . ?
O4 C6 H6B 109.9 . . ?
C5 C6 H6A 109.9 . . ?
C5 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
O4 C7 H7A 109.8 . . ?
O4 C7 H7B 109.8 . . ?
O4 C7 C8 109.3(3) . . ?
H7A C7 H7B 108.3 . . ?
C8 C7 H7A 109.8 . . ?
C8 C7 H7B 109.8 . . ?
O5 C8 C7 109.3(3) . . ?
O5 C8 H8A 109.8 . . ?
O5 C8 H8B 109.8 . . ?
C7 C8 H8A 109.8 . . ?
C7 C8 H8B 109.8 . . ?
H8A C8 H8B 108.3 . . ?
O5 C9 H9A 109.0 . . ?
O5 C9 H9B 109.0 . . ?
O5 C9 C10 112.7(3) . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
O6 C10 C9 108.4(4) . . ?
O6 C10 H10A 110.0 . . ?
O6 C10 H10B 110.0 . . ?
C9 C10 H10A 110.0 . . ?
C9 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
O6 C11 H11A 109.7 . . ?
O6 C11 H11B 109.7 . . ?
O6 C11 C12 109.8(3) . . ?
H11A C11 H11B 108.2 . . ?
C12 C11 H11A 109.7 . . ?
C12 C11 H11B 109.7 . . ?
O1 C12 C11 109.2(3) . . ?
O1 C12 H12A 109.8 . . ?
O1 C12 H12B 109.8 . . ?
C11 C12 H12A 109.8 . . ?
C11 C12 H12B 109.8 . . ?
H12A C12 H12B 108.3 . . ?

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
F1 C14 C15 C16 -178.4(3) . . . . ?
F2 C16 C17 C18 179.1(3) . . . . ?
N1 C13 C14 F1 -2.7(4) . . . . ?
N1 C13 C14 C15 177.9(2) . . . . ?
N1 C13 C18 F3 1.3(4) . . . . ?
N1 C13 C18 C17 -179.2(3) . . . . ?
C13 C14 C15 C16 1.0(4) . . . . ?
C14 C13 C18 F3 -179.7(3) . . . . ?
C14 C13 C18 C17 -0.2(4) . . . . ?
C14 C15 C16 F2 179.7(3) . . . . ?
C14 C15 C16 C17 0.6(5) . . . . ?
C15 C16 C17 C18 -1.8(5) . . . . ?
C16 C17 C18 F3 -178.9(3) . . . . ?
C16 C17 C18 C13 1.6(5) . . . . ?
C18 C13 C14 F1 178.2(2) . . . . ?
C18 C13 C14 C15 -1.2(4) . . . . ?
O1 C1 C2 O2 -63.9(5) . . . . ?
O2 C3 C4 O3 -65.1(5) . . . . ?
O3 C5 C6 O4 64.4(3) . . . . ?
O4 C7 C8 O5 -64.3(4) . . . . ?
O5 C9 C10 O6 -64.5(5) . . . . ?
O6 C11 C12 O1 64.7(4) . . . . ?
C1 O1 C12 C11 179.7(3) . . . . ?
C2 O2 C3 C4 -78.0(4) . . . . ?
C3 O2 C2 C1 176.2(3) . . . . ?
C4 O3 C5 C6 174.1(3) . . . . ?
C5 O3 C4 C3 174.7(3) . . . . ?
C6 O4 C7 C8 -174.7(3) . . . . ?
C7 O4 C6 C5 -178.0(3) . . . . ?
C8 O5 C9 C10 -82.0(5) . . . . ?
C9 O5 C8 C7 176.9(3) . . . . ?
C10 O6 C11 C12 175.2(3) . . . . ?
C11 O6 C10 C9 173.0(3) . . . . ?
C12 O1 C1 C2 -173.3(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
