# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 2047431'
loop_
_audit_author_name
_audit_author_address
'Wangxi Gao'
;Shaanxi University
China
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;
_audit_creation_date             2020-10-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H17 F3 O2'
_chemical_formula_sum            'C22 H17 F3 O2'
_chemical_formula_weight         370.35
_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'
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'

_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                   16.1778(10)
_cell_length_b                   11.4254(7)
_cell_length_c                   18.2577(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3374.7(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9112
_cell_measurement_temperature    182.0
_cell_measurement_theta_max      26.373
_cell_measurement_theta_min      2.451
_shelx_estimated_absorpt_T_max   0.966
_shelx_estimated_absorpt_T_min   0.945
_exptl_absorpt_coefficient_mu    0.115
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.7151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0932 before and 0.0618 after correction.
The Ratio of minimum to maximum transmission is 0.9594.
The λ/2 correction factor is Not present.
;
_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    1.458
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            59880
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.377
_diffrn_reflns_theta_min         2.231
_diffrn_ambient_temperature      182.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3063
_reflns_number_total             3452
_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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.198
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3452
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0337
_refine_ls_restrained_S_all      1.053
_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)+(0.0453P)²+1.3379P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.0931
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2), C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C11(H11), C12(H12), C15(H15), C17(H17), C21(H21), C22(H22)
;
_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 0.58619(5) 0.26788(7) 0.40853(5) 0.0362(2) Uani 1 1 d . . . . .
F2 F 0.71164(5) 0.31744(8) 0.38988(5) 0.0440(2) Uani 1 1 d . . . . .
F3 F 0.61527(7) 0.38686(8) 0.32149(4) 0.0482(3) Uani 1 1 d . . . . .
O1 O 0.54631(5) 0.89577(7) 0.70285(5) 0.0259(2) Uani 1 1 d . . . . .
O2 O 0.52647(6) 0.75676(8) 0.78293(5) 0.0315(2) Uani 1 1 d . . . . .
C1 C 0.64641(7) 0.53314(10) 0.56516(6) 0.0217(2) Uani 1 1 d . . . . .
C2 C 0.61397(7) 0.57630(10) 0.69695(6) 0.0215(2) Uani 1 1 d . . . . .
H2 H 0.562287 0.528290 0.696677 0.026 Uiso 1 1 calc R U . . .
C3 C 0.65315(8) 0.44423(11) 0.51381(7) 0.0245(3) Uani 1 1 d . . . . .
H3 H 0.677807 0.371968 0.527421 0.029 Uiso 1 1 calc R U . . .
C4 C 0.60114(7) 0.73265(10) 0.60005(6) 0.0217(3) Uani 1 1 d . . . . .
C5 C 0.61107(7) 0.64030(10) 0.54390(6) 0.0223(3) Uani 1 1 d . . . . .
C6 C 0.55489(7) 0.78123(10) 0.72369(7) 0.0234(3) Uani 1 1 d . . . . .
C7 C 0.59324(7) 0.69966(10) 0.67178(6) 0.0214(2) Uani 1 1 d . . . . .
C8 C 0.67661(7) 0.52143(10) 0.64304(6) 0.0223(3) Uani 1 1 d . . . . .
H8 H 0.728733 0.568081 0.646895 0.027 Uiso 1 1 calc R U . . .
C9 C 0.59678(7) 0.85699(11) 0.58098(7) 0.0232(3) Uani 1 1 d . . . . .
C10 C 0.57141(7) 0.93497(11) 0.63504(7) 0.0240(3) Uani 1 1 d . . . . .
C11 C 0.56950(8) 1.05531(11) 0.62527(8) 0.0299(3) Uani 1 1 d . . . . .
H11 H 0.551019 1.105663 0.663306 0.036 Uiso 1 1 calc R U . . .
C12 C 0.57944(8) 0.65228(11) 0.47291(7) 0.0275(3) Uani 1 1 d . . . . .
H12 H 0.552698 0.723070 0.459371 0.033 Uiso 1 1 calc R U . . .
C13 C 0.63421(8) 0.35941(12) 0.39058(7) 0.0283(3) Uani 1 1 d . . . . .
C14 C 0.62431(8) 0.45930(11) 0.44264(7) 0.0251(3) Uani 1 1 d . . . . .
C15 C 0.62455(9) 0.90614(11) 0.51477(7) 0.0295(3) Uani 1 1 d . . . . .
H15 H 0.644483 0.856459 0.476973 0.035 Uiso 1 1 calc R U . . .
C16 C 0.69770(9) 0.39607(12) 0.66575(7) 0.0305(3) Uani 1 1 d . . . . .
H16A H 0.647021 0.347547 0.664503 0.037 Uiso 1 1 calc R U . . .
H16B H 0.737760 0.362453 0.630571 0.037 Uiso 1 1 calc R U . . .
C17 C 0.58642(8) 0.56277(12) 0.42198(7) 0.0281(3) Uani 1 1 d . . . . .
H17 H 0.565535 0.572316 0.373713 0.034 Uiso 1 1 calc R U . . .
C18 C 0.65175(9) 0.57306(12) 0.77453(7) 0.0294(3) Uani 1 1 d . . . . .
H18A H 0.701178 0.624091 0.775898 0.035 Uiso 1 1 calc R U . . .
H18B H 0.611094 0.604356 0.810015 0.035 Uiso 1 1 calc R U . . .
C19 C 0.73449(9) 0.39332(13) 0.74252(7) 0.0336(3) Uani 1 1 d . . . . .
H19A H 0.745146 0.311202 0.757025 0.040 Uiso 1 1 calc R U . . .
H19B H 0.787890 0.435640 0.742686 0.040 Uiso 1 1 calc R U . . .
C20 C 0.67619(9) 0.44957(12) 0.79724(7) 0.0308(3) Uani 1 1 d . . . . .
H20A H 0.703256 0.452361 0.845840 0.037 Uiso 1 1 calc R U . . .
H20B H 0.625810 0.400923 0.801762 0.037 Uiso 1 1 calc R U . . .
C21 C 0.59515(9) 1.09994(12) 0.55887(8) 0.0338(3) Uani 1 1 d . . . . .
H21 H 0.593613 1.182011 0.550623 0.041 Uiso 1 1 calc R U . . .
C22 C 0.62317(9) 1.02591(12) 0.50407(8) 0.0346(3) Uani 1 1 d . . . . .
H22 H 0.641562 1.057711 0.458839 0.042 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
F1 C13 1.3433(15) . ?
F2 C13 1.3414(16) . ?
F3 C13 1.3355(15) . ?
O1 C6 1.3699(15) . ?
O1 C10 1.3776(14) . ?
O2 C6 1.2080(15) . ?
C1 C3 1.3867(17) . ?
C1 C5 1.4059(17) . ?
C1 C8 1.5095(16) . ?
C2 H2 1.0000 . ?
C2 C7 1.5199(16) . ?
C2 C8 1.5455(16) . ?
C2 C18 1.5430(16) . ?
C3 H3 0.9500 . ?
C3 C14 1.3913(17) . ?
C4 C5 1.4799(17) . ?
C4 C7 1.3688(17) . ?
C4 C9 1.4644(17) . ?
C5 C12 1.4003(17) . ?
C6 C7 1.4670(16) . ?
C8 H8 1.0000 . ?
C8 C16 1.5297(17) . ?
C9 C10 1.3916(17) . ?
C9 C15 1.4065(18) . ?
C10 C11 1.3869(18) . ?
C11 H11 0.9500 . ?
C11 C21 1.3792(19) . ?
C12 H12 0.9500 . ?
C12 C17 1.3868(18) . ?
C13 C14 1.4939(18) . ?
C14 C17 1.3841(18) . ?
C15 H15 0.9500 . ?
C15 C22 1.3825(19) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C19 1.5231(18) . ?
C17 H17 0.9500 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C20 1.5229(18) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.5167(19) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21 0.9500 . ?
C21 C22 1.386(2) . ?
C22 H22 0.9500 . ?

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
C6 O1 C10 122.03(9) . . ?
C3 C1 C5 118.90(11) . . ?
C3 C1 C8 123.13(11) . . ?
C5 C1 C8 117.96(10) . . ?
C7 C2 H2 108.8 . . ?
C7 C2 C8 109.16(9) . . ?
C7 C2 C18 112.78(10) . . ?
C8 C2 H2 108.8 . . ?
C18 C2 H2 108.8 . . ?
C18 C2 C8 108.37(10) . . ?
C1 C3 H3 119.5 . . ?
C1 C3 C14 120.96(11) . . ?
C14 C3 H3 119.5 . . ?
C7 C4 C5 118.46(11) . . ?
C7 C4 C9 119.36(11) . . ?
C9 C4 C5 122.15(11) . . ?
C1 C5 C4 118.29(11) . . ?
C12 C5 C1 119.29(11) . . ?
C12 C5 C4 122.13(11) . . ?
O1 C6 C7 118.05(10) . . ?
O2 C6 O1 115.55(11) . . ?
O2 C6 C7 126.32(11) . . ?
C4 C7 C2 121.61(11) . . ?
C4 C7 C6 118.86(11) . . ?
C6 C7 C2 119.15(10) . . ?
C1 C8 C2 110.59(10) . . ?
C1 C8 H8 107.0 . . ?
C1 C8 C16 114.24(10) . . ?
C2 C8 H8 107.0 . . ?
C16 C8 C2 110.69(10) . . ?
C16 C8 H8 107.0 . . ?
C10 C9 C4 117.81(11) . . ?
C10 C9 C15 116.63(11) . . ?
C15 C9 C4 125.19(11) . . ?
O1 C10 C9 121.08(11) . . ?
O1 C10 C11 115.55(11) . . ?
C11 C10 C9 123.37(12) . . ?
C10 C11 H11 120.9 . . ?
C21 C11 C10 118.23(12) . . ?
C21 C11 H11 120.9 . . ?
C5 C12 H12 119.4 . . ?
C17 C12 C5 121.26(12) . . ?
C17 C12 H12 119.4 . . ?
F1 C13 C14 112.18(10) . . ?
F2 C13 F1 105.32(11) . . ?
F2 C13 C14 112.29(11) . . ?
F3 C13 F1 106.29(11) . . ?
F3 C13 F2 106.81(11) . . ?
F3 C13 C14 113.39(11) . . ?
C3 C14 C13 117.63(11) . . ?
C17 C14 C3 120.58(11) . . ?
C17 C14 C13 121.78(12) . . ?
C9 C15 H15 119.6 . . ?
C22 C15 C9 120.77(12) . . ?
C22 C15 H15 119.6 . . ?
C8 C16 H16A 109.5 . . ?
C8 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C19 C16 C8 110.85(11) . . ?
C19 C16 H16A 109.5 . . ?
C19 C16 H16B 109.5 . . ?
C12 C17 H17 120.6 . . ?
C14 C17 C12 118.89(12) . . ?
C14 C17 H17 120.6 . . ?
C2 C18 H18A 109.2 . . ?
C2 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C20 C18 C2 112.02(11) . . ?
C20 C18 H18A 109.2 . . ?
C20 C18 H18B 109.2 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C20 C19 C16 110.76(11) . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C18 C20 H20A 109.2 . . ?
C18 C20 H20B 109.2 . . ?
C19 C20 C18 112.01(11) . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C11 C21 H21 119.8 . . ?
C11 C21 C22 120.48(12) . . ?
C22 C21 H21 119.8 . . ?
C15 C22 C21 120.48(13) . . ?
C15 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?

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 C13 C14 C3 68.15(15) . . . . ?
F1 C13 C14 C17 -110.56(14) . . . . ?
F2 C13 C14 C3 -50.24(16) . . . . ?
F2 C13 C14 C17 131.05(13) . . . . ?
F3 C13 C14 C3 -171.43(11) . . . . ?
F3 C13 C14 C17 9.86(18) . . . . ?
O1 C6 C7 C2 171.92(10) . . . . ?
O1 C6 C7 C4 -15.04(17) . . . . ?
O1 C10 C11 C21 179.01(12) . . . . ?
O2 C6 C7 C2 -11.32(19) . . . . ?
O2 C6 C7 C4 161.72(13) . . . . ?
C1 C3 C14 C13 179.76(11) . . . . ?
C1 C3 C14 C17 -1.52(19) . . . . ?
C1 C5 C12 C17 -3.61(19) . . . . ?
C1 C8 C16 C19 175.15(11) . . . . ?
C2 C8 C16 C19 -59.23(14) . . . . ?
C2 C18 C20 C19 55.35(15) . . . . ?
C3 C1 C5 C4 177.52(11) . . . . ?
C3 C1 C5 C12 3.58(18) . . . . ?
C3 C1 C8 C2 -138.48(12) . . . . ?
C3 C1 C8 C16 -12.81(17) . . . . ?
C3 C14 C17 C12 1.54(19) . . . . ?
C4 C5 C12 C17 -177.31(12) . . . . ?
C4 C9 C10 O1 -3.95(18) . . . . ?
C4 C9 C10 C11 175.97(12) . . . . ?
C4 C9 C15 C22 -175.28(13) . . . . ?
C5 C1 C3 C14 -1.08(18) . . . . ?
C5 C1 C8 C2 42.57(14) . . . . ?
C5 C1 C8 C16 168.24(11) . . . . ?
C5 C4 C7 C2 14.34(17) . . . . ?
C5 C4 C7 C6 -158.52(11) . . . . ?
C5 C4 C9 C10 167.67(11) . . . . ?
C5 C4 C9 C15 -19.55(19) . . . . ?
C5 C12 C17 C14 1.0(2) . . . . ?
C6 O1 C10 C9 8.49(17) . . . . ?
C6 O1 C10 C11 -171.44(11) . . . . ?
C7 C2 C8 C1 -51.22(13) . . . . ?
C7 C2 C8 C16 -178.86(10) . . . . ?
C7 C2 C18 C20 -177.05(11) . . . . ?
C7 C4 C5 C1 -26.67(16) . . . . ?
C7 C4 C5 C12 147.09(12) . . . . ?
C7 C4 C9 C10 -10.23(17) . . . . ?
C7 C4 C9 C15 162.55(12) . . . . ?
C8 C1 C3 C14 179.98(11) . . . . ?
C8 C1 C5 C4 -3.48(16) . . . . ?
C8 C1 C5 C12 -177.43(11) . . . . ?
C8 C2 C7 C4 24.70(15) . . . . ?
C8 C2 C7 C6 -162.46(10) . . . . ?
C8 C2 C18 C20 -56.09(14) . . . . ?
C8 C16 C19 C20 56.44(15) . . . . ?
C9 C4 C5 C1 155.41(11) . . . . ?
C9 C4 C5 C12 -30.83(18) . . . . ?
C9 C4 C7 C2 -167.68(11) . . . . ?
C9 C4 C7 C6 19.46(17) . . . . ?
C9 C10 C11 C21 -0.9(2) . . . . ?
C9 C15 C22 C21 0.7(2) . . . . ?
C10 O1 C6 O2 -176.19(11) . . . . ?
C10 O1 C6 C7 0.91(16) . . . . ?
C10 C9 C15 C22 -2.42(19) . . . . ?
C10 C11 C21 C22 -1.0(2) . . . . ?
C11 C21 C22 C15 1.0(2) . . . . ?
C13 C14 C17 C12 -179.79(12) . . . . ?
C15 C9 C10 O1 -177.36(11) . . . . ?
C15 C9 C10 C11 2.56(19) . . . . ?
C16 C19 C20 C18 -54.46(16) . . . . ?
C18 C2 C7 C4 145.22(12) . . . . ?
C18 C2 C7 C6 -41.94(15) . . . . ?
C18 C2 C8 C1 -174.40(10) . . . . ?
C18 C2 C8 C16 57.96(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
