# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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 
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data_230724yly
_database_code_depnum_ccdc_archive 'CCDC 2286097'
loop_
_audit_author_name
_audit_author_address
'Lu-Yu Yan'
;Heifei Universitry of Technology
China
;
_audit_update_record             
;
2023-08-02 deposited with the CCDC.	2023-11-06 downloaded from the CCDC.
;
_audit_creation_date             2023-07-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H24 F2 O4'
_chemical_formula_sum            'C23 H24 F2 O4'
_chemical_formula_weight         402.42
_chemical_absolute_configuration rmad
_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 0.0137 0.0067 '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 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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           19
_space_group_name_H-M_alt        'P 21 21 21'
_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'

_cell_length_a                   5.97500(10)
_cell_length_b                   16.6014(4)
_cell_length_c                   20.4417(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2027.68(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9994
_cell_measurement_temperature    248
_cell_measurement_theta_max      52.58
_cell_measurement_theta_min      2.98
_shelx_estimated_absorpt_T_max   0.973
_shelx_estimated_absorpt_T_min   0.963
_exptl_absorpt_coefficient_mu    0.540
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6240
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1047 before and 0.0584 after correction.
The Ratio of minimum to maximum transmission is 0.8311.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23095
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.122
_diffrn_reflns_theta_min         2.983
_diffrn_ambient_temperature      248
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1995708
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.718
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                3194
_reflns_number_total             3868
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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  (Sheldrick, 2015)'
_refine_diff_density_max         0.135
_refine_diff_density_min         -0.208
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 
;
 Flack x determined using 1152 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.07(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3868
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0419
_refine_ls_restrained_S_all      1.063
_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)+(0.0614P)²+0.1374P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1060
_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:
 C1(H1), C2(H2), C3(H3), C4(H4)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
2.c Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C16(H16), C17(H17), C19(H19), C20(H20), C21(H21),
 C22(H22), C23(H23)
2.d Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C)
;
_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
C1 C 0.3389(4) 0.42163(15) 0.62850(12) 0.0418(6) Uani 1 1 d . . . . .
H1 H 0.310885 0.476459 0.611308 0.050 Uiso 1 1 calc R U . . .
F1 F 0.8950(3) 0.36426(11) 0.46825(9) 0.0662(5) Uani 1 1 d . . . . .
O1 O 0.1459(3) 0.39573(11) 0.66477(9) 0.0482(5) Uani 1 1 d . . . . .
C2 C 0.5274(5) 0.42562(15) 0.67805(11) 0.0439(6) Uani 1 1 d . . . . .
H2 H 0.671667 0.406378 0.660103 0.053 Uiso 1 1 calc R U . . .
F2 F 0.7645(3) 0.27280(10) 0.53252(9) 0.0669(5) Uani 1 1 d . . . . .
O2 O 0.2484(4) 0.26372(11) 0.69294(10) 0.0573(5) Uani 1 1 d . . . . .
C3 C 0.4450(5) 0.37437(16) 0.73615(12) 0.0484(6) Uani 1 1 d . . . . .
H3 H 0.550520 0.330729 0.747921 0.058 Uiso 1 1 calc R U . . .
O3 O 0.4151(4) 0.43114(12) 0.78719(9) 0.0630(6) Uani 1 1 d . . . . .
C4 C 0.2193(5) 0.34319(16) 0.71504(13) 0.0486(7) Uani 1 1 d . . . . .
H4 H 0.113174 0.344428 0.752225 0.058 Uiso 1 1 calc R U . . .
O4 O 0.5412(4) 0.50545(11) 0.70370(8) 0.0554(5) Uani 1 1 d . . . . .
C5 C 0.0445(7) 0.2262(2) 0.6750(2) 0.0853(11) Uani 1 1 d . . . . .
H5A H -0.028552 0.257788 0.641268 0.128 Uiso 1 1 calc R U . . .
H5B H -0.052344 0.222537 0.712938 0.128 Uiso 1 1 calc R U . . .
H5C H 0.074938 0.172526 0.658433 0.128 Uiso 1 1 calc R U . . .
C6 C 0.5455(5) 0.50064(17) 0.77282(12) 0.0476(6) Uani 1 1 d . . . . .
C7 C 0.4283(6) 0.5734(2) 0.79914(17) 0.0705(9) Uani 1 1 d . . . . .
H7A H 0.511345 0.621412 0.787205 0.106 Uiso 1 1 calc R U . . .
H7B H 0.418849 0.569638 0.846413 0.106 Uiso 1 1 calc R U . . .
H7C H 0.278702 0.576334 0.780863 0.106 Uiso 1 1 calc R U . . .
C8 C 0.7805(7) 0.4929(2) 0.79830(18) 0.0782(10) Uani 1 1 d . . . . .
H8A H 0.848613 0.444566 0.780563 0.117 Uiso 1 1 calc R U . . .
H8B H 0.777410 0.489517 0.845668 0.117 Uiso 1 1 calc R U . . .
H8C H 0.867021 0.539584 0.785128 0.117 Uiso 1 1 calc R U . . .
C9 C 0.3831(5) 0.36470(15) 0.57081(12) 0.0453(6) Uani 1 1 d . . . . .
H9A H 0.425449 0.311639 0.587790 0.054 Uiso 1 1 calc R U . . .
H9B H 0.244738 0.358255 0.545615 0.054 Uiso 1 1 calc R U . . .
C10 C 0.5649(4) 0.39467(15) 0.52610(11) 0.0404(6) Uani 1 1 d . . . . .
C11 C 0.7303(5) 0.34725(16) 0.51026(13) 0.0482(6) Uani 1 1 d . . . . .
C12 C 0.5541(4) 0.47706(15) 0.49815(11) 0.0396(6) Uani 1 1 d . . . . .
C13 C 0.3708(5) 0.50222(17) 0.46244(14) 0.0522(7) Uani 1 1 d . . . . .
H13 H 0.249814 0.466803 0.456428 0.063 Uiso 1 1 calc R U . . .
C14 C 0.3617(5) 0.57824(17) 0.43541(14) 0.0544(7) Uani 1 1 d . . . . .
H14 H 0.235404 0.593197 0.410846 0.065 Uiso 1 1 calc R U . . .
C15 C 0.5347(4) 0.63333(15) 0.44356(11) 0.0411(6) Uani 1 1 d . . . . .
C16 C 0.7156(5) 0.60814(17) 0.48014(15) 0.0571(7) Uani 1 1 d . . . . .
H16 H 0.835034 0.643961 0.487123 0.069 Uiso 1 1 calc R U . . .
C17 C 0.7263(5) 0.53192(17) 0.50678(15) 0.0575(8) Uani 1 1 d . . . . .
H17 H 0.852781 0.516911 0.531243 0.069 Uiso 1 1 calc R U . . .
C18 C 0.5274(5) 0.71527(15) 0.41322(11) 0.0436(6) Uani 1 1 d . . . . .
C19 C 0.3418(6) 0.7425(2) 0.37979(16) 0.0641(8) Uani 1 1 d . . . . .
H19 H 0.215886 0.708860 0.375738 0.077 Uiso 1 1 calc R U . . .
C20 C 0.3382(7) 0.8190(2) 0.35196(16) 0.0723(10) Uani 1 1 d . . . . .
H20 H 0.209590 0.836257 0.329517 0.087 Uiso 1 1 calc R U . . .
C21 C 0.5163(7) 0.86896(19) 0.35658(14) 0.0654(9) Uani 1 1 d . . . . .
H21 H 0.513442 0.920191 0.337021 0.078 Uiso 1 1 calc R U . . .
C22 C 0.7006(7) 0.8434(2) 0.3903(2) 0.0902(13) Uani 1 1 d . . . . .
H22 H 0.825539 0.877432 0.394228 0.108 Uiso 1 1 calc R U . . .
C23 C 0.7050(6) 0.7677(2) 0.4188(2) 0.0800(11) Uani 1 1 d . . . . .
H23 H 0.832288 0.751696 0.442483 0.096 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
C1 H1 0.9900 . ?
C1 O1 1.437(3) . ?
C1 C2 1.516(4) . ?
C1 C9 1.534(4) . ?
F1 C11 1.336(3) . ?
O1 C4 1.417(3) . ?
C2 H2 0.9900 . ?
C2 C3 1.542(4) . ?
C2 O4 1.428(3) . ?
F2 C11 1.333(3) . ?
O2 C4 1.405(3) . ?
O2 C5 1.417(4) . ?
C3 H3 0.9900 . ?
C3 O3 1.417(3) . ?
C3 C4 1.508(4) . ?
O3 C6 1.423(3) . ?
C4 H4 0.9900 . ?
O4 C6 1.415(3) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 C7 1.496(4) . ?
C6 C8 1.503(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 C10 1.504(4) . ?
C10 C11 1.304(4) . ?
C10 C12 1.484(3) . ?
C12 C13 1.381(4) . ?
C12 C17 1.385(4) . ?
C13 H13 0.9400 . ?
C13 C14 1.379(4) . ?
C14 H14 0.9400 . ?
C14 C15 1.390(4) . ?
C15 C16 1.379(4) . ?
C15 C18 1.496(3) . ?
C16 H16 0.9400 . ?
C16 C17 1.379(4) . ?
C17 H17 0.9400 . ?
C18 C19 1.379(4) . ?
C18 C23 1.377(4) . ?
C19 H19 0.9400 . ?
C19 C20 1.392(4) . ?
C20 H20 0.9400 . ?
C20 C21 1.353(5) . ?
C21 H21 0.9400 . ?
C21 C22 1.367(5) . ?
C22 H22 0.9400 . ?
C22 C23 1.385(5) . ?
C23 H23 0.9400 . ?

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
O1 C1 H1 108.8 . . ?
O1 C1 C2 105.34(18) . . ?
O1 C1 C9 110.5(2) . . ?
C2 C1 H1 108.8 . . ?
C2 C1 C9 114.4(2) . . ?
C9 C1 H1 108.8 . . ?
C4 O1 C1 108.0(2) . . ?
C1 C2 H2 112.7 . . ?
C1 C2 C3 104.7(2) . . ?
C3 C2 H2 112.7 . . ?
O4 C2 C1 109.2(2) . . ?
O4 C2 H2 112.7 . . ?
O4 C2 C3 104.35(19) . . ?
C4 O2 C5 112.9(3) . . ?
C2 C3 H3 112.8 . . ?
O3 C3 C2 103.9(2) . . ?
O3 C3 H3 112.8 . . ?
O3 C3 C4 109.0(2) . . ?
C4 C3 C2 104.7(2) . . ?
C4 C3 H3 112.8 . . ?
C3 O3 C6 108.6(2) . . ?
O1 C4 C3 105.8(2) . . ?
O1 C4 H4 110.2 . . ?
O2 C4 O1 112.5(2) . . ?
O2 C4 C3 107.7(2) . . ?
O2 C4 H4 110.2 . . ?
C3 C4 H4 110.2 . . ?
C6 O4 C2 108.4(2) . . ?
O2 C5 H5A 109.5 . . ?
O2 C5 H5B 109.5 . . ?
O2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O3 C6 C7 108.9(2) . . ?
O3 C6 C8 111.8(3) . . ?
O4 C6 O3 104.0(2) . . ?
O4 C6 C7 107.7(2) . . ?
O4 C6 C8 111.6(3) . . ?
C7 C6 C8 112.4(3) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C1 C9 H9A 109.0 . . ?
C1 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 C1 112.8(2) . . ?
C10 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
C11 C10 C9 119.9(2) . . ?
C11 C10 C12 119.6(2) . . ?
C12 C10 C9 120.5(2) . . ?
F2 C11 F1 107.6(2) . . ?
C10 C11 F1 126.2(2) . . ?
C10 C11 F2 126.2(3) . . ?
C13 C12 C10 121.1(2) . . ?
C13 C12 C17 117.2(2) . . ?
C17 C12 C10 121.6(2) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 C12 121.3(2) . . ?
C14 C13 H13 119.3 . . ?
C13 C14 H14 119.2 . . ?
C13 C14 C15 121.7(2) . . ?
C15 C14 H14 119.2 . . ?
C14 C15 C18 121.8(2) . . ?
C16 C15 C14 116.6(2) . . ?
C16 C15 C18 121.6(2) . . ?
C15 C16 H16 119.0 . . ?
C15 C16 C17 121.9(3) . . ?
C17 C16 H16 119.0 . . ?
C12 C17 H17 119.4 . . ?
C16 C17 C12 121.2(3) . . ?
C16 C17 H17 119.4 . . ?
C19 C18 C15 121.8(3) . . ?
C23 C18 C15 121.2(3) . . ?
C23 C18 C19 117.0(3) . . ?
C18 C19 H19 119.6 . . ?
C18 C19 C20 120.9(3) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 119.4 . . ?
C21 C20 C19 121.3(3) . . ?
C21 C20 H20 119.4 . . ?
C20 C21 H21 120.7 . . ?
C20 C21 C22 118.6(3) . . ?
C22 C21 H21 120.7 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.6(4) . . ?
C23 C22 H22 119.7 . . ?
C18 C23 C22 121.6(3) . . ?
C18 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?

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
C1 O1 C4 O2 -83.2(3) . . . . ?
C1 O1 C4 C3 34.1(3) . . . . ?
C1 C2 C3 O3 -113.0(2) . . . . ?
C1 C2 C3 C4 1.4(3) . . . . ?
C1 C2 O4 C6 129.9(2) . . . . ?
C1 C9 C10 C11 128.7(3) . . . . ?
C1 C9 C10 C12 -53.2(3) . . . . ?
O1 C1 C2 C3 18.3(3) . . . . ?
O1 C1 C2 O4 -93.0(2) . . . . ?
O1 C1 C9 C10 172.6(2) . . . . ?
C2 C1 O1 C4 -33.0(3) . . . . ?
C2 C1 C9 C10 -68.7(3) . . . . ?
C2 C3 O3 C6 -21.2(3) . . . . ?
C2 C3 C4 O1 -20.9(3) . . . . ?
C2 C3 C4 O2 99.6(2) . . . . ?
C2 O4 C6 O3 -31.5(3) . . . . ?
C2 O4 C6 C7 -147.0(3) . . . . ?
C2 O4 C6 C8 89.1(3) . . . . ?
C3 C2 O4 C6 18.4(3) . . . . ?
C3 O3 C6 O4 33.0(3) . . . . ?
C3 O3 C6 C7 147.6(3) . . . . ?
C3 O3 C6 C8 -87.6(3) . . . . ?
O3 C3 C4 O1 89.8(2) . . . . ?
O3 C3 C4 O2 -149.7(2) . . . . ?
C4 C3 O3 C6 -132.5(2) . . . . ?
O4 C2 C3 O3 1.8(3) . . . . ?
O4 C2 C3 C4 116.1(2) . . . . ?
C5 O2 C4 O1 -67.0(3) . . . . ?
C5 O2 C4 C3 176.8(3) . . . . ?
C9 C1 O1 C4 91.0(2) . . . . ?
C9 C1 C2 C3 -103.3(2) . . . . ?
C9 C1 C2 O4 145.4(2) . . . . ?
C9 C10 C11 F1 175.8(2) . . . . ?
C9 C10 C11 F2 -3.5(4) . . . . ?
C9 C10 C12 C13 -55.9(3) . . . . ?
C9 C10 C12 C17 124.0(3) . . . . ?
C10 C12 C13 C14 -178.8(3) . . . . ?
C10 C12 C17 C16 179.4(3) . . . . ?
C11 C10 C12 C13 122.2(3) . . . . ?
C11 C10 C12 C17 -57.9(3) . . . . ?
C12 C10 C11 F1 -2.3(4) . . . . ?
C12 C10 C11 F2 178.4(2) . . . . ?
C12 C13 C14 C15 -0.9(5) . . . . ?
C13 C12 C17 C16 -0.7(4) . . . . ?
C13 C14 C15 C16 -0.1(4) . . . . ?
C13 C14 C15 C18 178.8(3) . . . . ?
C14 C15 C16 C17 0.7(4) . . . . ?
C14 C15 C18 C19 4.9(4) . . . . ?
C14 C15 C18 C23 -176.5(3) . . . . ?
C15 C16 C17 C12 -0.3(5) . . . . ?
C15 C18 C19 C20 179.9(3) . . . . ?
C15 C18 C23 C22 179.4(4) . . . . ?
C16 C15 C18 C19 -176.2(3) . . . . ?
C16 C15 C18 C23 2.3(4) . . . . ?
C17 C12 C13 C14 1.3(4) . . . . ?
C18 C15 C16 C17 -178.2(3) . . . . ?
C18 C19 C20 C21 0.2(5) . . . . ?
C19 C18 C23 C22 -2.0(6) . . . . ?
C19 C20 C21 C22 -1.1(6) . . . . ?
C20 C21 C22 C23 0.4(6) . . . . ?
C21 C22 C23 C18 1.2(7) . . . . ?
C23 C18 C19 C20 1.3(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
