# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_sxbsahvxhv_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2287492'
loop_
_audit_author_name
_audit_author_address
'Abhijeet Singh'
;Indian Institute of Technology, Delhi
India
;
_audit_update_record             
;
2023-08-08 deposited with the CCDC.	2024-02-01 downloaded from the CCDC.
;
_audit_creation_date             2023-07-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H21 F O'
_chemical_formula_sum            'C33 H21 F O'
_chemical_formula_weight         452.50
_chemical_absolute_configuration ?
_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           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                   8.733(3)
_cell_length_b                   16.125(7)
_cell_length_c                   16.631(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2342.0(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8987
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      28.332
_cell_measurement_theta_min      1.759
_shelx_estimated_absorpt_T_max   0.994
_shelx_estimated_absorpt_T_min   0.984
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7026
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1163 before and 0.0719 after correction.
The Ratio of minimum to maximum transmission is 0.9422.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1017
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_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            71032
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.332
_diffrn_reflns_theta_min         1.759
_diffrn_ambient_temperature      299.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.987
_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           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.771
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.985
_reflns_number_gt                3448
_reflns_number_total             5768
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.094
_refine_diff_density_min         -0.129
_refine_diff_density_rms         0.024
_refine_ls_abs_structure_details 
;
 Flack x determined using 1180 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5768
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0942
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.004
_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)+(0.0517P)²+0.0938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1175
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C13(H13), C17(H17), C18(H18),
 C19(H19), C20(H20), C22(H22), C24(H24), C25(H25), C27(H27), C28(H28), C29(H29),
  C30(H30), C31(H31), C32(H32), C33(H33)
;
_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 0.2935(3) 0.62012(14) 0.69955(13) 0.1177(8) Uani 1 1 d . . . . .
O1 O 0.6534(3) 0.74032(19) 0.42974(17) 0.1165(10) Uani 1 1 d . . . . .
C1 C 0.5210(3) 0.41807(17) 0.37494(18) 0.0600(7) Uani 1 1 d . . . . .
C2 C 0.8461(3) 0.66396(15) 0.17358(15) 0.0508(6) Uani 1 1 d . . . . .
C3 C 0.9471(3) 0.72954(17) 0.19380(17) 0.0611(7) Uani 1 1 d . . . . .
H3 H 0.990499 0.731169 0.244853 0.073 Uiso 1 1 calc R U . . .
C4 C 0.9819(3) 0.79029(19) 0.1397(2) 0.0734(8) Uani 1 1 d . . . . .
H4 H 1.048263 0.832771 0.154345 0.088 Uiso 1 1 calc R U . . .
C5 C 0.9185(3) 0.7893(2) 0.06230(19) 0.0726(8) Uani 1 1 d . . . . .
H5 H 0.940031 0.832083 0.026529 0.087 Uiso 1 1 calc R U . . .
C6 C 0.8251(3) 0.72571(19) 0.03936(17) 0.0648(7) Uani 1 1 d . . . . .
H6 H 0.785675 0.724677 -0.012567 0.078 Uiso 1 1 calc R U . . .
C7 C 0.7877(3) 0.66122(16) 0.09378(15) 0.0536(6) Uani 1 1 d . . . . .
C8 C 0.6931(3) 0.59355(18) 0.07091(16) 0.0602(7) Uani 1 1 d . . . . .
H8 H 0.659834 0.589074 0.017965 0.072 Uiso 1 1 calc R U . . .
C9 C 0.6508(3) 0.53545(18) 0.12540(17) 0.0614(7) Uani 1 1 d . . . . .
H9 H 0.587793 0.492044 0.109200 0.074 Uiso 1 1 calc R U . . .
C10 C 0.7004(3) 0.53926(16) 0.20692(15) 0.0546(6) Uani 1 1 d . . . . .
C11 C 0.8013(3) 0.60143(16) 0.22997(14) 0.0507(6) Uani 1 1 d . . . . .
C12 C 0.6409(3) 0.47757(16) 0.26428(17) 0.0582(7) Uani 1 1 d . . . . .
C13 C 0.5706(3) 0.49414(17) 0.33500(18) 0.0630(7) Uani 1 1 d . . . . .
H13 H 0.555723 0.547179 0.355531 0.076 Uiso 1 1 calc R U . . .
C14 C 0.5659(3) 0.35069(17) 0.31904(18) 0.0607(7) Uani 1 1 d . . . . .
C15 C 0.6399(3) 0.38636(17) 0.25291(17) 0.0594(7) Uani 1 1 d . . . . .
C16 C 0.8781(3) 0.59851(16) 0.31140(16) 0.0530(6) Uani 1 1 d . . . . .
C17 C 0.9977(3) 0.54227(19) 0.32072(18) 0.0694(8) Uani 1 1 d . . . . .
H17 H 1.022178 0.506596 0.278698 0.083 Uiso 1 1 calc R U . . .
C18 C 1.0805(4) 0.5386(2) 0.3911(2) 0.0860(10) Uani 1 1 d . . . . .
H18 H 1.160333 0.500762 0.396067 0.103 Uiso 1 1 calc R U . . .
C19 C 1.0454(4) 0.5906(2) 0.4541(2) 0.0863(10) Uani 1 1 d . . . . .
H19 H 1.102929 0.588720 0.501136 0.104 Uiso 1 1 calc R U . . .
C20 C 0.9258(4) 0.6452(2) 0.44750(18) 0.0780(9) Uani 1 1 d . . . . .
H20 H 0.901200 0.679475 0.490564 0.094 Uiso 1 1 calc R U . . .
C21 C 0.8400(3) 0.64969(17) 0.37610(16) 0.0596(7) Uani 1 1 d . . . . .
C22 C 0.4524(3) 0.40648(18) 0.44707(18) 0.0630(7) Uani 1 1 d . . . . .
H22 H 0.424393 0.351900 0.457604 0.076 Uiso 1 1 calc R U . . .
C23 C 0.4144(3) 0.46527(18) 0.51158(18) 0.0627(7) Uani 1 1 d . . . . .
C24 C 0.3165(3) 0.4396(2) 0.57306(19) 0.0745(8) Uani 1 1 d . . . . .
H24 H 0.277923 0.385814 0.572006 0.089 Uiso 1 1 calc R U . . .
C25 C 0.2750(4) 0.4916(2) 0.6356(2) 0.0832(10) Uani 1 1 d . . . . .
H25 H 0.208504 0.473523 0.675576 0.100 Uiso 1 1 calc R U . . .
C26 C 0.3329(4) 0.5694(2) 0.6373(2) 0.0817(9) Uani 1 1 d . . . . .
C27 C 0.4322(4) 0.5981(2) 0.5802(2) 0.0829(9) Uani 1 1 d . . . . .
H27 H 0.471190 0.651690 0.583070 0.099 Uiso 1 1 calc R U . . .
C28 C 0.4734(4) 0.54545(19) 0.5178(2) 0.0745(9) Uani 1 1 d . . . . .
H28 H 0.542112 0.564106 0.479141 0.089 Uiso 1 1 calc R U . . .
C29 C 0.5520(3) 0.26466(18) 0.3245(2) 0.0715(8) Uani 1 1 d . . . . .
H29 H 0.504001 0.240223 0.368393 0.086 Uiso 1 1 calc R U . . .
C30 C 0.6118(4) 0.2161(2) 0.2624(2) 0.0803(10) Uani 1 1 d . . . . .
H30 H 0.602831 0.158704 0.265191 0.096 Uiso 1 1 calc R U . . .
C31 C 0.6841(4) 0.2516(2) 0.1969(2) 0.0781(9) Uani 1 1 d . . . . .
H31 H 0.723032 0.218039 0.156297 0.094 Uiso 1 1 calc R U . . .
C32 C 0.6988(3) 0.33770(18) 0.1914(2) 0.0705(8) Uani 1 1 d . . . . .
H32 H 0.747089 0.361899 0.147395 0.085 Uiso 1 1 calc R U . . .
C33 C 0.7092(4) 0.7061(2) 0.3722(2) 0.0747(8) Uani 1 1 d . . . . .
H33 H 0.666055 0.716298 0.322044 0.090 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 C26 1.364(4) . ?
O1 C33 1.207(4) . ?
C1 C13 1.461(4) . ?
C1 C14 1.483(4) . ?
C1 C22 1.354(4) . ?
C2 C3 1.418(4) . ?
C2 C7 1.422(4) . ?
C2 C11 1.432(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.364(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.401(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.365(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.417(4) . ?
C7 C8 1.421(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.355(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.425(4) . ?
C10 C11 1.389(3) . ?
C10 C12 1.473(4) . ?
C11 C16 1.512(4) . ?
C12 C13 1.353(4) . ?
C12 C15 1.483(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.399(4) . ?
C14 C29 1.395(4) . ?
C15 C32 1.388(4) . ?
C16 C17 1.392(4) . ?
C16 C21 1.396(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.376(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.377(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.370(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.406(4) . ?
C21 C33 1.462(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.469(4) . ?
C23 C24 1.396(4) . ?
C23 C28 1.395(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.385(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.352(5) . ?
C26 C27 1.367(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.388(5) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C29 C30 1.397(5) . ?
C30 H30 0.9300 . ?
C30 C31 1.384(5) . ?
C31 H31 0.9300 . ?
C31 C32 1.397(4) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?

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 C1 C14 104.6(2) . . ?
C22 C1 C13 130.5(3) . . ?
C22 C1 C14 124.9(2) . . ?
C3 C2 C7 117.9(2) . . ?
C3 C2 C11 122.7(2) . . ?
C7 C2 C11 119.4(2) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.2(3) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.7(3) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.1(3) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 119.6 . . ?
C5 C6 C7 120.7(3) . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C2 119.4(3) . . ?
C6 C7 C8 121.8(2) . . ?
C8 C7 C2 118.8(2) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.7(2) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 119.2 . . ?
C8 C9 C10 121.6(2) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 C12 118.7(2) . . ?
C11 C10 C9 119.1(2) . . ?
C11 C10 C12 122.2(2) . . ?
C2 C11 C16 119.2(2) . . ?
C10 C11 C2 120.1(2) . . ?
C10 C11 C16 120.4(2) . . ?
C10 C12 C15 126.1(3) . . ?
C13 C12 C10 126.1(3) . . ?
C13 C12 C15 107.7(3) . . ?
C1 C13 H13 124.3 . . ?
C12 C13 C1 111.3(3) . . ?
C12 C13 H13 124.3 . . ?
C15 C14 C1 108.3(2) . . ?
C29 C14 C1 131.7(3) . . ?
C29 C14 C15 120.0(3) . . ?
C14 C15 C12 108.1(3) . . ?
C32 C15 C12 130.7(3) . . ?
C32 C15 C14 121.2(3) . . ?
C17 C16 C11 116.9(2) . . ?
C17 C16 C21 118.6(2) . . ?
C21 C16 C11 124.5(2) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 C16 121.1(3) . . ?
C18 C17 H17 119.4 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.3(3) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0(3) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.5(3) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 119.6(3) . . ?
C16 C21 C33 121.3(3) . . ?
C20 C21 C33 119.1(3) . . ?
C1 C22 H22 114.4 . . ?
C1 C22 C23 131.1(3) . . ?
C23 C22 H22 114.4 . . ?
C24 C23 C22 118.8(3) . . ?
C28 C23 C22 124.7(3) . . ?
C28 C23 C24 116.5(3) . . ?
C23 C24 H24 119.0 . . ?
C25 C24 C23 122.0(3) . . ?
C25 C24 H24 119.0 . . ?
C24 C25 H25 120.7 . . ?
C26 C25 C24 118.7(3) . . ?
C26 C25 H25 120.7 . . ?
F1 C26 C27 118.9(3) . . ?
C25 C26 F1 118.5(3) . . ?
C25 C26 C27 122.5(4) . . ?
C26 C27 H27 120.8 . . ?
C26 C27 C28 118.4(3) . . ?
C28 C27 H27 120.8 . . ?
C23 C28 H28 119.1 . . ?
C27 C28 C23 121.8(3) . . ?
C27 C28 H28 119.1 . . ?
C14 C29 H29 120.8 . . ?
C14 C29 C30 118.5(3) . . ?
C30 C29 H29 120.8 . . ?
C29 C30 H30 119.3 . . ?
C31 C30 C29 121.4(3) . . ?
C31 C30 H30 119.3 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.3(3) . . ?
C32 C31 H31 119.8 . . ?
C15 C32 C31 118.6(3) . . ?
C15 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
O1 C33 C21 124.4(3) . . ?
O1 C33 H33 117.8 . . ?
C21 C33 H33 117.8 . . ?

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 C26 C27 C28 179.0(3) . . . . ?
C1 C14 C15 C12 -1.2(3) . . . . ?
C1 C14 C15 C32 178.2(2) . . . . ?
C1 C14 C29 C30 -177.4(3) . . . . ?
C1 C22 C23 C24 167.5(3) . . . . ?
C1 C22 C23 C28 -14.7(5) . . . . ?
C2 C3 C4 C5 -0.1(4) . . . . ?
C2 C7 C8 C9 4.3(4) . . . . ?
C2 C11 C16 C17 -97.8(3) . . . . ?
C2 C11 C16 C21 80.2(3) . . . . ?
C3 C2 C7 C6 -3.4(3) . . . . ?
C3 C2 C7 C8 176.6(2) . . . . ?
C3 C2 C11 C10 179.2(2) . . . . ?
C3 C2 C11 C16 -7.5(3) . . . . ?
C3 C4 C5 C6 -2.3(5) . . . . ?
C4 C5 C6 C7 1.7(4) . . . . ?
C5 C6 C7 C2 1.2(4) . . . . ?
C5 C6 C7 C8 -178.8(3) . . . . ?
C6 C7 C8 C9 -175.7(3) . . . . ?
C7 C2 C3 C4 3.0(4) . . . . ?
C7 C2 C11 C10 -0.7(3) . . . . ?
C7 C2 C11 C16 172.6(2) . . . . ?
C7 C8 C9 C10 -0.7(4) . . . . ?
C8 C9 C10 C11 -3.6(4) . . . . ?
C8 C9 C10 C12 175.5(2) . . . . ?
C9 C10 C11 C2 4.2(4) . . . . ?
C9 C10 C11 C16 -169.0(2) . . . . ?
C9 C10 C12 C13 -125.8(3) . . . . ?
C9 C10 C12 C15 50.8(4) . . . . ?
C10 C11 C16 C17 75.5(3) . . . . ?
C10 C11 C16 C21 -106.5(3) . . . . ?
C10 C12 C13 C1 177.7(2) . . . . ?
C10 C12 C15 C14 -176.7(2) . . . . ?
C10 C12 C15 C32 3.9(4) . . . . ?
C11 C2 C3 C4 -176.9(3) . . . . ?
C11 C2 C7 C6 176.4(2) . . . . ?
C11 C2 C7 C8 -3.6(3) . . . . ?
C11 C10 C12 C13 53.3(4) . . . . ?
C11 C10 C12 C15 -130.1(3) . . . . ?
C11 C16 C17 C18 176.1(3) . . . . ?
C11 C16 C21 C20 -175.9(2) . . . . ?
C11 C16 C21 C33 6.2(4) . . . . ?
C12 C10 C11 C2 -174.9(2) . . . . ?
C12 C10 C11 C16 11.9(4) . . . . ?
C12 C15 C32 C31 178.8(3) . . . . ?
C13 C1 C14 C15 1.6(3) . . . . ?
C13 C1 C14 C29 178.5(3) . . . . ?
C13 C1 C22 C23 -4.9(5) . . . . ?
C13 C12 C15 C14 0.4(3) . . . . ?
C13 C12 C15 C32 -179.0(3) . . . . ?
C14 C1 C13 C12 -1.3(3) . . . . ?
C14 C1 C22 C23 173.5(3) . . . . ?
C14 C15 C32 C31 -0.5(4) . . . . ?
C14 C29 C30 C31 0.3(4) . . . . ?
C15 C12 C13 C1 0.6(3) . . . . ?
C15 C14 C29 C30 -0.7(4) . . . . ?
C16 C17 C18 C19 0.3(5) . . . . ?
C16 C21 C33 O1 165.8(3) . . . . ?
C17 C16 C21 C20 2.1(4) . . . . ?
C17 C16 C21 C33 -175.8(3) . . . . ?
C17 C18 C19 C20 1.3(5) . . . . ?
C18 C19 C20 C21 -1.3(5) . . . . ?
C19 C20 C21 C16 -0.5(4) . . . . ?
C19 C20 C21 C33 177.5(3) . . . . ?
C20 C21 C33 O1 -12.1(5) . . . . ?
C21 C16 C17 C18 -2.0(4) . . . . ?
C22 C1 C13 C12 177.3(3) . . . . ?
C22 C1 C14 C15 -177.2(2) . . . . ?
C22 C1 C14 C29 -0.2(5) . . . . ?
C22 C23 C24 C25 -179.6(3) . . . . ?
C22 C23 C28 C27 179.7(3) . . . . ?
C23 C24 C25 C26 -0.8(5) . . . . ?
C24 C23 C28 C27 -2.4(4) . . . . ?
C24 C25 C26 F1 -179.1(3) . . . . ?
C24 C25 C26 C27 -0.7(5) . . . . ?
C25 C26 C27 C28 0.7(5) . . . . ?
C26 C27 C28 C23 1.0(5) . . . . ?
C28 C23 C24 C25 2.3(4) . . . . ?
C29 C14 C15 C12 -178.6(2) . . . . ?
C29 C14 C15 C32 0.8(4) . . . . ?
C29 C30 C31 C32 0.0(5) . . . . ?
C30 C31 C32 C15 0.2(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
