# Electronic Supplementary Material (ESI) for ChemComm.
# 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_mb-ttr-219-g
_database_code_depnum_ccdc_archive 'CCDC 1867344'
loop_
_audit_author_name
_audit_author_address
'Sharada D'
;Indian Institute of Technology Madras
India
;
_audit_update_record             
;
2021-09-19 deposited with the CCDC.	2021-12-21 downloaded from the CCDC.
;
_audit_creation_date             2021-09-18
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2016.03.30 svn.r3266 for Rigaku Oxford Diffraction, GUI svn.r5168)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C22 H20 F2 O4'
_chemical_formula_sum            'C22 H18 F2 O4'
_chemical_formula_weight         384.36
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C10 H20 O4 Cl4 F1'
_chemical_oxdiff_usercomment     'COLOURLESS BLOCK, 295K, 0.75 0.32 0.12'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/a 1'
_space_group_name_Hall           '-P 2yab'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z'

_cell_length_a                   7.7331(11)
_cell_length_b                   20.6428(19)
_cell_length_c                   12.1338(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.067(11)
_cell_angle_gamma                90.00
_cell_volume                     1932.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2659
_cell_measurement_temperature    295
_cell_measurement_theta_max      29.1133
_cell_measurement_theta_min      3.9406
_exptl_absorpt_coefficient_mu    0.103
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_unetI/netI     0.0648
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12321
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.18
_diffrn_reflns_theta_min         4.38
_diffrn_ambient_temperature      295
_diffrn_detector_area_resol_mean 15.9821
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   16.00   50.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397   77.0000  -90.0000 34

#__ type_ start__ end____ width___ exp.time_
  2 omega  -47.00  -21.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397   77.0000  -90.0000 26

#__ type_ start__ end____ width___ exp.time_
  3 omega   17.00   55.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397   19.0000  -90.0000 38

#__ type_ start__ end____ width___ exp.time_
  4 omega  -59.00  -33.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397  178.0000   30.0000 26

#__ type_ start__ end____ width___ exp.time_
  5 omega  -18.00    9.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397   19.0000  -90.0000 27

#__ type_ start__ end____ width___ exp.time_
  6 omega  -72.00    1.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397  -57.0000  -30.0000 73

#__ type_ start__ end____ width___ exp.time_
  7 omega  -36.00   13.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397  -77.0000 -120.0000 49

#__ type_ start__ end____ width___ exp.time_
  8 omega  -44.00  -16.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397   19.0000  -60.0000 28

#__ type_ start__ end____ width___ exp.time_
  9 omega   33.00   90.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -       19.0585 -178.0000  -60.0000 57
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0254322000
_diffrn_orient_matrix_UB_12      -0.0148738000
_diffrn_orient_matrix_UB_13      -0.0490846000
_diffrn_orient_matrix_UB_21      0.0132139000
_diffrn_orient_matrix_UB_22      0.0309450000
_diffrn_orient_matrix_UB_23      -0.0232979000
_diffrn_orient_matrix_UB_31      0.0873614000
_diffrn_orient_matrix_UB_32      -0.0003387000
_diffrn_orient_matrix_UB_33      0.0220742000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2502
_reflns_number_total             4469
_reflns_odcompleteness_completeness 99.09
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       0.011(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         4469
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1453
_refine_ls_R_factor_gt           0.0940
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1030P)²+2.2075P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2446
_refine_ls_wR_factor_ref         0.2798
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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 Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C13(H13), C16(H16), C15(H15), C3(H3), C5(H5), C2(H2), C6(H6)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
F1 F 0.9171(3) 0.07755(13) 0.4390(2) 0.0741(8) Uani 1 d . . .
C12 C 0.4524(4) 0.08438(17) 0.3742(3) 0.0424(8) Uani 1 d . . .
O1 O 0.2837(4) 0.17196(14) 0.5864(2) 0.0679(9) Uani 1 d . . .
C7 C 0.4077(5) 0.24843(18) 0.3407(3) 0.0477(8) Uani 1 d . . .
H7 H 0.4251 0.2883 0.3755 0.057 Uiso 1 calc . . R
C17 C 0.4211(5) 0.01951(17) 0.3439(3) 0.0435(8) Uani 1 d . . .
C13 C 0.6226(4) 0.10283(18) 0.4063(3) 0.0455(8) Uani 1 d . . .
H13 H 0.6472 0.1455 0.4265 0.055 Uiso 1 calc . . R
C8 C 0.3514(5) 0.20159(18) 0.4063(3) 0.0465(8) Uani 1 d . . .
C4 C 0.4465(5) 0.24801(19) 0.2241(3) 0.0492(9) Uani 1 d . . .
C11 C 0.3061(4) 0.13348(18) 0.3713(3) 0.0468(8) Uani 1 d . . .
H11A H 0.2530 0.1350 0.2965 0.056 Uiso 1 calc . . R
H11B H 0.2190 0.1176 0.4183 0.056 Uiso 1 calc . . R
C16 C 0.5558(5) -0.02395(18) 0.3490(3) 0.0507(9) Uani 1 d . . .
H16 H 0.5329 -0.0671 0.3312 0.061 Uiso 1 calc . . R
O2 O 0.3410(5) 0.27615(15) 0.5574(3) 0.0847(11) Uani 1 d . . .
C15 C 0.7258(5) -0.00554(19) 0.3798(3) 0.0531(9) Uani 1 d . . .
H15 H 0.8168 -0.0350 0.3814 0.064 Uiso 1 calc . . R
O3 O 0.2601(5) -0.05201(17) 0.0174(2) 0.0823(10) Uani 1 d . . .
C14 C 0.7521(5) 0.05815(18) 0.4078(3) 0.0481(9) Uani 1 d . . .
C18 C 0.2389(5) -0.0051(2) 0.3114(3) 0.0547(10) Uani 1 d . . .
H18A H 0.1971 -0.0292 0.3728 0.066 Uiso 1 calc . . R
H18B H 0.1626 0.0318 0.2974 0.066 Uiso 1 calc . . R
C19 C 0.2305(5) -0.04785(18) 0.2105(3) 0.0512(9) Uani 1 d . . .
C9 C 0.3269(5) 0.22172(19) 0.5222(3) 0.0534(9) Uani 1 d . . .
F2 F 0.5716(5) 0.26152(18) -0.1002(2) 0.1026(11) Uani 1 d . . .
C3 C 0.4705(6) 0.1926(2) 0.1602(3) 0.0628(11) Uani 1 d . . .
H3 H 0.4589 0.1518 0.1916 0.075 Uiso 1 calc . . R
C21 C 0.2426(5) -0.0131(2) 0.1038(3) 0.0560(10) Uani 1 d . . .
C5 C 0.4677(5) 0.3078(2) 0.1731(3) 0.0584(10) Uani 1 d . . .
H5 H 0.4542 0.3456 0.2135 0.070 Uiso 1 calc . . R
C1 C 0.5294(6) 0.2570(3) 0.0062(3) 0.0663(12) Uani 1 d . . .
C2 C 0.5111(6) 0.1973(2) 0.0517(3) 0.0686(12) Uani 1 d . . .
H2 H 0.5257 0.1602 0.0100 0.082 Uiso 1 calc . . R
O4 O 0.2395(6) 0.04422(17) 0.0954(3) 0.0993(13) Uani 1 d . . .
C6 C 0.5083(6) 0.3124(2) 0.0638(4) 0.0705(13) Uani 1 d . . .
H6 H 0.5208 0.3526 0.0307 0.085 Uiso 1 calc . . R
C10 C 0.2471(8) 0.1879(3) 0.6982(4) 0.0862(16) Uani 1 d . . .
H10A H 0.1488 0.2163 0.6971 0.129 Uiso 1 calc . . GR
H10B H 0.3460 0.2090 0.7347 0.129 Uiso 1 calc . . GR
H10C H 0.2223 0.1489 0.7373 0.129 Uiso 1 calc . . GR
C22 C 0.2682(8) -0.0212(3) -0.0890(4) 0.102(2) Uani 1 d . . .
H22A H 0.2816 -0.0537 -0.1445 0.153 Uiso 1 calc . . GR
H22B H 0.3653 0.0078 -0.0868 0.153 Uiso 1 calc . . GR
H22C H 0.1632 0.0026 -0.1065 0.153 Uiso 1 calc . . GR
C20 C 0.2099(8) -0.1115(2) 0.2136(5) 0.0791(15) Uani 1 d . . .
H20A H 0.207(5) -0.136(2) 0.283(4) 0.064(12) Uiso 1 d . . .
H20B H 0.200(8) -0.136(3) 0.145(6) 0.14(2) Uiso 1 d . . .


_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 1.365(4) . ?
C12 C17 1.405(5) . ?
C12 C13 1.399(5) . ?
C12 C11 1.518(5) . ?
O1 C9 1.346(5) . ?
O1 C10 1.444(5) . ?
C7 H7 0.9300 . ?
C7 C8 1.344(5) . ?
C7 C4 1.467(5) . ?
C17 C16 1.373(5) . ?
C17 C18 1.523(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.361(5) . ?
C8 C11 1.503(5) . ?
C8 C9 1.491(5) . ?
C4 C3 1.402(6) . ?
C4 C5 1.396(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C16 H16 0.9300 . ?
C16 C15 1.394(5) . ?
O2 C9 1.204(5) . ?
C15 H15 0.9300 . ?
C15 C14 1.369(5) . ?
O3 C21 1.336(5) . ?
O3 C22 1.444(6) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.508(5) . ?
C19 C21 1.488(5) . ?
C19 C20 1.324(6) . ?
F2 C1 1.357(5) . ?
C3 H3 0.9300 . ?
C3 C2 1.379(6) . ?
C21 O4 1.187(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.388(6) . ?
C1 C2 1.361(7) . ?
C1 C6 1.356(7) . ?
C2 H2 0.9300 . ?
C6 H6 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C20 H20A 0.99(4) . ?
C20 H20B 0.97(7) . ?

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
C17 C12 C11 121.1(3) . . ?
C13 C12 C17 118.3(3) . . ?
C13 C12 C11 120.7(3) . . ?
C9 O1 C10 116.3(3) . . ?
C8 C7 H7 114.2 . . ?
C8 C7 C4 131.6(4) . . ?
C4 C7 H7 114.2 . . ?
C12 C17 C18 121.6(3) . . ?
C16 C17 C12 119.7(3) . . ?
C16 C17 C18 118.6(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.8(3) . . ?
C14 C13 H13 120.1 . . ?
C7 C8 C11 125.8(3) . . ?
C7 C8 C9 115.2(3) . . ?
C9 C8 C11 119.0(3) . . ?
C3 C4 C7 125.6(4) . . ?
C5 C4 C7 117.4(4) . . ?
C5 C4 C3 116.9(4) . . ?
C12 C11 H11A 108.0 . . ?
C12 C11 H11B 108.0 . . ?
C8 C11 C12 117.4(3) . . ?
C8 C11 H11A 108.0 . . ?
C8 C11 H11B 108.0 . . ?
H11A C11 H11B 107.2 . . ?
C17 C16 H16 118.9 . . ?
C17 C16 C15 122.1(3) . . ?
C15 C16 H16 118.9 . . ?
C16 C15 H15 121.6 . . ?
C14 C15 C16 116.7(4) . . ?
C14 C15 H15 121.6 . . ?
C21 O3 C22 116.8(4) . . ?
F1 C14 C15 118.0(3) . . ?
C13 C14 F1 118.5(3) . . ?
C13 C14 C15 123.4(3) . . ?
C17 C18 H18A 109.0 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C19 C18 C17 113.0(3) . . ?
C19 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C21 C19 C18 114.9(3) . . ?
C20 C19 C18 123.8(4) . . ?
C20 C19 C21 121.3(4) . . ?
O1 C9 C8 112.7(3) . . ?
O2 C9 O1 121.8(4) . . ?
O2 C9 C8 125.5(4) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 C4 121.2(4) . . ?
C2 C3 H3 119.4 . . ?
O3 C21 C19 114.1(4) . . ?
O4 C21 O3 122.3(4) . . ?
O4 C21 C19 123.6(4) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 C4 121.7(4) . . ?
C6 C5 H5 119.2 . . ?
F2 C1 C2 119.1(4) . . ?
C6 C1 F2 118.5(4) . . ?
C6 C1 C2 122.3(4) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 C3 119.3(4) . . ?
C1 C2 H2 120.4 . . ?
C5 C6 H6 120.7 . . ?
C1 C6 C5 118.6(4) . . ?
C1 C6 H6 120.7 . . ?
O1 C10 H10A 109.5 . . ?
O1 C10 H10B 109.5 . . ?
O1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O3 C22 H22A 109.5 . . ?
O3 C22 H22B 109.5 . . ?
O3 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C20 H20A 123(2) . . ?
C19 C20 H20B 120(4) . . ?
H20A C20 H20B 117(5) . . ?

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
C12 C17 C16 C15 -2.2(5) . . . . ?
C12 C17 C18 C19 135.8(4) . . . . ?
C12 C13 C14 F1 179.7(3) . . . . ?
C12 C13 C14 C15 -0.4(6) . . . . ?
C7 C8 C11 C12 86.3(5) . . . . ?
C7 C8 C9 O1 -175.1(3) . . . . ?
C7 C8 C9 O2 5.7(6) . . . . ?
C7 C4 C3 C2 -178.3(4) . . . . ?
C7 C4 C5 C6 178.6(4) . . . . ?
C17 C12 C13 C14 -0.2(5) . . . . ?
C17 C12 C11 C8 179.3(3) . . . . ?
C17 C16 C15 C14 1.5(6) . . . . ?
C17 C18 C19 C21 -75.1(4) . . . . ?
C17 C18 C19 C20 106.4(5) . . . . ?
C13 C12 C17 C16 1.5(5) . . . . ?
C13 C12 C17 C18 178.1(3) . . . . ?
C13 C12 C11 C8 -1.2(5) . . . . ?
C8 C7 C4 C3 -15.8(7) . . . . ?
C8 C7 C4 C5 166.7(4) . . . . ?
C4 C7 C8 C11 -2.5(6) . . . . ?
C4 C7 C8 C9 -179.9(4) . . . . ?
C4 C3 C2 C1 0.5(7) . . . . ?
C4 C5 C6 C1 -0.7(7) . . . . ?
C11 C12 C17 C16 -179.0(3) . . . . ?
C11 C12 C17 C18 -2.4(5) . . . . ?
C11 C12 C13 C14 -179.7(3) . . . . ?
C11 C8 C9 O1 7.3(5) . . . . ?
C11 C8 C9 O2 -171.9(4) . . . . ?
C16 C17 C18 C19 -47.6(5) . . . . ?
C16 C15 C14 F1 179.6(3) . . . . ?
C16 C15 C14 C13 -0.2(6) . . . . ?
C18 C17 C16 C15 -178.9(3) . . . . ?
C18 C19 C21 O3 170.8(4) . . . . ?
C18 C19 C21 O4 -8.2(6) . . . . ?
C9 C8 C11 C12 -96.4(4) . . . . ?
F2 C1 C2 C3 179.1(4) . . . . ?
F2 C1 C6 C5 -179.0(4) . . . . ?
C3 C4 C5 C6 0.9(6) . . . . ?
C5 C4 C3 C2 -0.8(6) . . . . ?
C2 C1 C6 C5 0.4(7) . . . . ?
C6 C1 C2 C3 -0.3(7) . . . . ?
C10 O1 C9 C8 -176.3(4) . . . . ?
C10 O1 C9 O2 2.9(6) . . . . ?
C22 O3 C21 C19 178.5(4) . . . . ?
C22 O3 C21 O4 -2.5(7) . . . . ?
C20 C19 C21 O3 -10.6(6) . . . . ?
C20 C19 C21 O4 170.4(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
