# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 2225895'
loop_
_audit_author_name
_audit_author_address
'Qiang Zhao'
;Nanyang Normal University
China
;
_audit_update_record             
;
2022-12-14 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_audit_creation_date             2022-12-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C32 H26 O4'
_chemical_formula_sum            'C32 H26 O4'
_chemical_formula_weight         474.53
_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'
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.225(4)
_cell_length_b                   12.421(5)
_cell_length_c                   18.911(8)
_cell_angle_alpha                90
_cell_angle_beta                 99.081(7)
_cell_angle_gamma                90
_cell_volume                     2371.9(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1623
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   0.979
_shelx_estimated_absorpt_T_min   0.969
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.9787
_exptl_absorpt_correction_T_min  0.9695
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.25
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0858
_diffrn_reflns_av_unetI/netI     0.1093
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11065
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.969
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.44
_diffrn_source_voltage           48.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2009
_reflns_number_total             4157
_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 v7.60A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.60A (Bruker, 2009)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.229
_refine_diff_density_min         -0.236
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       0.0090(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         4157
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1377
_refine_ls_R_factor_gt           0.0634
_refine_ls_restrained_S_all      0.883
_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)+(0.0938P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.1808
_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 Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C15(H15), C16(H16), C17(H17), C18(H18),
 C23(H23), C24(H24), C25(H25), C26(H26), C27(H27)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
O1 O 0.4385(2) 0.6429(2) -0.01045(13) 0.0623(7) Uani 1 1 d . . . . .
O2 O 0.3961(2) 0.77847(19) 0.21711(13) 0.0567(7) Uani 1 1 d . . . . .
O3 O 0.1523(2) 0.7810(2) 0.03854(15) 0.0706(8) Uani 1 1 d . . . . .
O4 O 0.28233(18) 0.45806(18) 0.15819(11) 0.0439(6) Uani 1 1 d . . . . .
C1 C 0.4521(3) 0.6945(3) 0.04460(18) 0.0455(9) Uani 1 1 d . . . . .
C2 C 0.5250(3) 0.7963(3) 0.05716(18) 0.0445(9) Uani 1 1 d . . . . .
C3 C 0.5986(4) 0.8527(3) 0.0140(2) 0.0594(10) Uani 1 1 d . . . . .
H3 H 0.608976 0.826776 -0.030902 0.071 Uiso 1 1 calc R U . . .
C4 C 0.6555(4) 0.9473(4) 0.0393(2) 0.0704(12) Uani 1 1 d . . . . .
H4 H 0.705840 0.985975 0.011208 0.084 Uiso 1 1 calc R U . . .
C5 C 0.6401(3) 0.9870(3) 0.1059(2) 0.0630(11) Uani 1 1 d . . . . .
H5 H 0.679210 1.052212 0.121393 0.076 Uiso 1 1 calc R U . . .
C6 C 0.5684(3) 0.9319(3) 0.1493(2) 0.0514(9) Uani 1 1 d . . . . .
H6 H 0.557851 0.958557 0.193985 0.062 Uiso 1 1 calc R U . . .
C7 C 0.5121(3) 0.8351(3) 0.12425(18) 0.0415(8) Uani 1 1 d . . . . .
C8 C 0.4323(3) 0.7612(3) 0.16044(19) 0.0415(8) Uani 1 1 d . . . . .
C9 C 0.4023(3) 0.6606(3) 0.11362(16) 0.0380(8) Uani 1 1 d . . . . .
C10 C 0.2591(3) 0.6316(3) 0.10253(17) 0.0419(8) Uani 1 1 d . . . . .
C11 C 0.1478(3) 0.6934(3) 0.06603(19) 0.0492(9) Uani 1 1 d . . . . .
C12 C 0.0273(3) 0.6250(3) 0.06854(18) 0.0493(9) Uani 1 1 d . . . . .
C13 C 0.0685(3) 0.5298(3) 0.10375(17) 0.0447(9) Uani 1 1 d . . . . .
C14 C 0.2133(3) 0.5391(3) 0.12375(17) 0.0404(8) Uani 1 1 d . . . . .
C15 C -0.0183(3) 0.4511(3) 0.11414(18) 0.0572(10) Uani 1 1 d . . . . .
H15 H 0.010175 0.388607 0.139047 0.069 Uiso 1 1 calc R U . . .
C16 C -0.1517(3) 0.4666(4) 0.0863(2) 0.0650(12) Uani 1 1 d . . . . .
H16 H -0.213062 0.413024 0.091239 0.078 Uiso 1 1 calc R U . . .
C17 C -0.1924(4) 0.5602(4) 0.0517(2) 0.0725(13) Uani 1 1 d . . . . .
H17 H -0.281908 0.569509 0.034124 0.087 Uiso 1 1 calc R U . . .
C18 C -0.1038(3) 0.6421(4) 0.0421(2) 0.0681(12) Uani 1 1 d . . . . .
H18 H -0.132326 0.705706 0.018779 0.082 Uiso 1 1 calc R U . . .
C19 C 0.4887(3) 0.3762(3) 0.1984(2) 0.0450(9) Uani 1 1 d . . . . .
C20 C 0.4188(3) 0.4858(3) 0.19155(16) 0.0383(8) Uani 1 1 d . . . . .
C21 C 0.4805(3) 0.5590(3) 0.14112(19) 0.0406(9) Uani 1 1 d . . . . .
C22 C 0.4087(3) 0.5342(3) 0.26462(16) 0.0408(8) Uani 1 1 d . . . . .
C23 C 0.5239(3) 0.5827(3) 0.30469(19) 0.0557(10) Uani 1 1 d . . . . .
H23 H 0.602298 0.587679 0.285749 0.067 Uiso 1 1 calc R U . . .
C24 C 0.5158(4) 0.6230(3) 0.3738(2) 0.0641(11) Uani 1 1 d . . . . .
H24 H 0.576225 0.674358 0.394511 0.077 Uiso 1 1 calc R U . . .
C25 C 0.4184(5) 0.5861(5) 0.4107(3) 0.1070(19) Uani 1 1 d . . . . .
H25 H 0.427829 0.592410 0.460223 0.128 Uiso 1 1 calc R U . . .
C26 C 0.3038(4) 0.5385(4) 0.3712(2) 0.0853(14) Uani 1 1 d . . . . .
H26 H 0.225336 0.534991 0.390137 0.102 Uiso 1 1 calc R U . . .
C27 C 0.3106(4) 0.4965(4) 0.3024(2) 0.0879(16) Uani 1 1 d . . . . .
H27 H 0.250581 0.444339 0.282471 0.105 Uiso 1 1 calc R U . . .
C28 C 0.6344(3) 0.3788(3) 0.2199(2) 0.0538(10) Uani 1 1 d . . . . .
H28A H 0.671648 0.424122 0.186373 0.065 Uiso 1 1 calc R U . . .
H28B H 0.654097 0.412499 0.266683 0.065 Uiso 1 1 calc R U . . .
C29 C 0.6997(4) 0.2762(3) 0.2232(2) 0.0708(12) Uani 1 1 d . . . . .
H29A H 0.709637 0.255479 0.174891 0.085 Uiso 1 1 calc R U . . .
H29B H 0.787938 0.284843 0.250202 0.085 Uiso 1 1 calc R U . . .
C30 C 0.6360(4) 0.1896(4) 0.2545(2) 0.0719(12) Uani 1 1 d . . . . .
H30A H 0.656437 0.195563 0.306186 0.086 Uiso 1 1 calc R U . . .
H30B H 0.672695 0.122110 0.240884 0.086 Uiso 1 1 calc R U . . .
C31 C 0.4925(4) 0.1862(3) 0.2339(2) 0.0625(11) Uani 1 1 d . . . . .
H31A H 0.472493 0.151199 0.187594 0.075 Uiso 1 1 calc R U . . .
H31B H 0.456132 0.141623 0.268172 0.075 Uiso 1 1 calc R U . . .
C32 C 0.4254(4) 0.2891(3) 0.2295(2) 0.0684(12) Uani 1 1 d . . . . .
H32A H 0.337799 0.279527 0.202007 0.082 Uiso 1 1 calc R U . . .
H32B H 0.413898 0.310152 0.277578 0.082 Uiso 1 1 calc R U . . .
H21A H 0.486(3) 0.518(3) 0.0934(19) 0.064(10) Uiso 1 1 d . . . . .
H21B H 0.567(3) 0.581(2) 0.1637(17) 0.054(9) Uiso 1 1 d . . . . .
H19 H 0.480(4) 0.354(3) 0.139(3) 0.120(16) Uiso 1 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
O1 C1 1.212(4) . ?
O2 C8 1.207(4) . ?
O3 C11 1.210(4) . ?
O4 C14 1.338(4) . ?
O4 C20 1.479(3) . ?
C1 C2 1.467(5) . ?
C1 C9 1.533(4) . ?
C2 C3 1.385(5) . ?
C2 C7 1.383(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.364(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.367(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.384(5) . ?
C7 C8 1.468(4) . ?
C8 C9 1.534(4) . ?
C9 C10 1.490(4) . ?
C9 C21 1.539(4) . ?
C10 C11 1.454(4) . ?
C10 C14 1.327(4) . ?
C11 C12 1.504(5) . ?
C12 C13 1.389(5) . ?
C12 C18 1.371(4) . ?
C13 C14 1.474(4) . ?
C13 C15 1.356(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.396(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.366(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.393(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.533(4) . ?
C19 C28 1.482(4) . ?
C19 C32 1.433(5) . ?
C19 H19 1.15(5) . ?
C20 C21 1.524(4) . ?
C20 C22 1.525(4) . ?
C21 H21A 1.04(3) . ?
C21 H21B 0.96(3) . ?
C22 C23 1.430(4) . ?
C22 C27 1.401(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.415(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.381(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.416(6) . ?
C26 H26 0.9300 . ?
C26 C27 1.413(5) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.436(5) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.432(5) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.458(5) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.447(5) . ?
C32 H32A 0.9700 . ?
C32 H32B 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
C14 O4 C20 115.0(2) . . ?
O1 C1 C2 125.5(3) . . ?
O1 C1 C9 125.3(3) . . ?
C2 C1 C9 109.1(3) . . ?
C3 C2 C1 130.5(3) . . ?
C7 C2 C1 109.2(3) . . ?
C7 C2 C3 120.2(3) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 C2 118.1(4) . . ?
C4 C3 H3 121.0 . . ?
C3 C4 H4 119.2 . . ?
C3 C4 C5 121.5(4) . . ?
C5 C4 H4 119.2 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.1(4) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 H6 121.2 . . ?
C5 C6 C7 117.6(4) . . ?
C7 C6 H6 121.2 . . ?
C2 C7 C6 121.5(3) . . ?
C2 C7 C8 110.5(3) . . ?
C6 C7 C8 128.1(3) . . ?
O2 C8 C7 125.0(3) . . ?
O2 C8 C9 126.6(3) . . ?
C7 C8 C9 108.4(3) . . ?
C1 C9 C8 101.8(3) . . ?
C1 C9 C21 106.8(3) . . ?
C8 C9 C21 115.2(3) . . ?
C10 C9 C1 113.4(3) . . ?
C10 C9 C8 112.4(2) . . ?
C10 C9 C21 107.2(3) . . ?
C11 C10 C9 128.1(3) . . ?
C14 C10 C9 123.5(3) . . ?
C14 C10 C11 108.3(3) . . ?
O3 C11 C10 126.8(3) . . ?
O3 C11 C12 127.5(3) . . ?
C10 C11 C12 105.7(3) . . ?
C13 C12 C11 107.9(3) . . ?
C18 C12 C11 131.3(4) . . ?
C18 C12 C13 120.8(3) . . ?
C12 C13 C14 105.9(3) . . ?
C15 C13 C12 121.8(3) . . ?
C15 C13 C14 132.3(4) . . ?
O4 C14 C13 119.9(3) . . ?
C10 C14 O4 127.9(3) . . ?
C10 C14 C13 112.2(3) . . ?
C13 C15 H15 121.0 . . ?
C13 C15 C16 117.9(4) . . ?
C16 C15 H15 121.0 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.3(4) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.1 . . ?
C16 C17 C18 121.8(4) . . ?
C18 C17 H17 119.1 . . ?
C12 C18 C17 117.3(4) . . ?
C12 C18 H18 121.4 . . ?
C17 C18 H18 121.4 . . ?
C20 C19 H19 100(2) . . ?
C28 C19 C20 116.0(3) . . ?
C28 C19 H19 101(2) . . ?
C32 C19 C20 118.1(3) . . ?
C32 C19 C28 113.8(3) . . ?
C32 C19 H19 105(2) . . ?
O4 C20 C19 103.0(2) . . ?
O4 C20 C21 109.1(2) . . ?
O4 C20 C22 106.5(2) . . ?
C21 C20 C19 110.5(3) . . ?
C21 C20 C22 115.2(3) . . ?
C22 C20 C19 111.7(3) . . ?
C9 C21 H21A 101.5(19) . . ?
C9 C21 H21B 108.1(19) . . ?
C20 C21 C9 117.1(3) . . ?
C20 C21 H21A 109.6(18) . . ?
C20 C21 H21B 109.5(19) . . ?
H21A C21 H21B 111(3) . . ?
C23 C22 C20 118.5(3) . . ?
C27 C22 C20 119.2(3) . . ?
C27 C22 C23 117.8(3) . . ?
C22 C23 H23 120.8 . . ?
C24 C23 C22 118.4(3) . . ?
C24 C23 H23 120.8 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.1(4) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.8 . . ?
C24 C25 C26 118.4(4) . . ?
C26 C25 H25 120.8 . . ?
C25 C26 H26 120.6 . . ?
C27 C26 C25 118.9(4) . . ?
C27 C26 H26 120.6 . . ?
C22 C27 C26 119.3(4) . . ?
C22 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C19 C28 H28A 108.4 . . ?
C19 C28 H28B 108.4 . . ?
H28A C28 H28B 107.4 . . ?
C29 C28 C19 115.6(3) . . ?
C29 C28 H28A 108.4 . . ?
C29 C28 H28B 108.4 . . ?
C28 C29 H29A 108.2 . . ?
C28 C29 H29B 108.2 . . ?
H29A C29 H29B 107.3 . . ?
C30 C29 C28 116.5(4) . . ?
C30 C29 H29A 108.2 . . ?
C30 C29 H29B 108.2 . . ?
C29 C30 H30A 108.6 . . ?
C29 C30 H30B 108.6 . . ?
C29 C30 C31 114.6(4) . . ?
H30A C30 H30B 107.6 . . ?
C31 C30 H30A 108.6 . . ?
C31 C30 H30B 108.6 . . ?
C30 C31 H31A 108.3 . . ?
C30 C31 H31B 108.3 . . ?
H31A C31 H31B 107.4 . . ?
C32 C31 C30 115.9(4) . . ?
C32 C31 H31A 108.3 . . ?
C32 C31 H31B 108.3 . . ?
C19 C32 C31 116.7(3) . . ?
C19 C32 H32A 108.1 . . ?
C19 C32 H32B 108.1 . . ?
C31 C32 H32A 108.1 . . ?
C31 C32 H32B 108.1 . . ?
H32A C32 H32B 107.3 . . ?

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
O1 C1 C2 C3 -4.1(6) . . . . ?
O1 C1 C2 C7 176.2(3) . . . . ?
O1 C1 C9 C8 -173.6(3) . . . . ?
O1 C1 C9 C10 -52.6(4) . . . . ?
O1 C1 C9 C21 65.3(4) . . . . ?
O2 C8 C9 C1 170.3(3) . . . . ?
O2 C8 C9 C10 48.6(4) . . . . ?
O2 C8 C9 C21 -74.7(4) . . . . ?
O3 C11 C12 C13 178.5(4) . . . . ?
O3 C11 C12 C18 -0.3(6) . . . . ?
O4 C20 C21 C9 52.8(4) . . . . ?
O4 C20 C22 C23 -171.1(3) . . . . ?
O4 C20 C22 C27 33.0(4) . . . . ?
C1 C2 C3 C4 179.3(3) . . . . ?
C1 C2 C7 C6 -178.3(3) . . . . ?
C1 C2 C7 C8 0.9(4) . . . . ?
C1 C9 C10 C11 -50.9(4) . . . . ?
C1 C9 C10 C14 126.7(3) . . . . ?
C1 C9 C21 C20 -158.2(3) . . . . ?
C2 C1 C9 C8 9.6(3) . . . . ?
C2 C1 C9 C10 130.5(3) . . . . ?
C2 C1 C9 C21 -111.6(3) . . . . ?
C2 C3 C4 C5 -0.4(6) . . . . ?
C2 C7 C8 O2 -173.8(3) . . . . ?
C2 C7 C8 C9 5.4(3) . . . . ?
C3 C2 C7 C6 1.9(5) . . . . ?
C3 C2 C7 C8 -178.9(3) . . . . ?
C3 C4 C5 C6 0.8(6) . . . . ?
C4 C5 C6 C7 0.1(5) . . . . ?
C5 C6 C7 C2 -1.5(5) . . . . ?
C5 C6 C7 C8 179.5(3) . . . . ?
C6 C7 C8 O2 5.4(5) . . . . ?
C6 C7 C8 C9 -175.4(3) . . . . ?
C7 C2 C3 C4 -0.9(5) . . . . ?
C7 C8 C9 C1 -9.0(3) . . . . ?
C7 C8 C9 C10 -130.6(3) . . . . ?
C7 C8 C9 C21 106.1(3) . . . . ?
C8 C9 C10 C11 63.8(4) . . . . ?
C8 C9 C10 C14 -118.6(3) . . . . ?
C8 C9 C21 C20 89.7(3) . . . . ?
C9 C1 C2 C3 172.8(3) . . . . ?
C9 C1 C2 C7 -7.0(4) . . . . ?
C9 C10 C11 O3 -0.8(6) . . . . ?
C9 C10 C11 C12 178.2(3) . . . . ?
C9 C10 C14 O4 0.8(5) . . . . ?
C9 C10 C14 C13 -178.0(3) . . . . ?
C10 C9 C21 C20 -36.3(4) . . . . ?
C10 C11 C12 C13 -0.6(4) . . . . ?
C10 C11 C12 C18 -179.3(4) . . . . ?
C11 C10 C14 O4 178.8(3) . . . . ?
C11 C10 C14 C13 0.0(4) . . . . ?
C11 C12 C13 C14 0.6(3) . . . . ?
C11 C12 C13 C15 -179.7(3) . . . . ?
C11 C12 C18 C17 178.2(3) . . . . ?
C12 C13 C14 O4 -179.3(3) . . . . ?
C12 C13 C14 C10 -0.4(4) . . . . ?
C12 C13 C15 C16 1.9(5) . . . . ?
C13 C12 C18 C17 -0.4(5) . . . . ?
C13 C15 C16 C17 -2.0(5) . . . . ?
C14 O4 C20 C19 -157.7(3) . . . . ?
C14 O4 C20 C21 -40.3(3) . . . . ?
C14 O4 C20 C22 84.7(3) . . . . ?
C14 C10 C11 O3 -178.7(4) . . . . ?
C14 C10 C11 C12 0.3(4) . . . . ?
C14 C13 C15 C16 -178.3(3) . . . . ?
C15 C13 C14 O4 1.0(5) . . . . ?
C15 C13 C14 C10 179.9(3) . . . . ?
C15 C16 C17 C18 0.9(6) . . . . ?
C16 C17 C18 C12 0.3(6) . . . . ?
C18 C12 C13 C14 179.5(3) . . . . ?
C18 C12 C13 C15 -0.7(5) . . . . ?
C19 C20 C21 C9 165.4(3) . . . . ?
C19 C20 C22 C23 77.2(4) . . . . ?
C19 C20 C22 C27 -78.7(4) . . . . ?
C19 C28 C29 C30 -42.0(5) . . . . ?
C20 O4 C14 C10 16.2(4) . . . . ?
C20 O4 C14 C13 -165.1(2) . . . . ?
C20 C19 C28 C29 -177.4(3) . . . . ?
C20 C19 C32 C31 178.7(3) . . . . ?
C20 C22 C23 C24 -177.1(3) . . . . ?
C20 C22 C27 C26 177.9(4) . . . . ?
C21 C9 C10 C11 -168.5(3) . . . . ?
C21 C9 C10 C14 9.0(4) . . . . ?
C21 C20 C22 C23 -50.0(4) . . . . ?
C21 C20 C22 C27 154.2(3) . . . . ?
C22 C20 C21 C9 -66.8(4) . . . . ?
C22 C23 C24 C25 21.0(6) . . . . ?
C23 C22 C27 C26 21.8(6) . . . . ?
C23 C24 C25 C26 -21.3(7) . . . . ?
C24 C25 C26 C27 21.8(8) . . . . ?
C25 C26 C27 C22 -22.4(7) . . . . ?
C27 C22 C23 C24 -20.9(5) . . . . ?
C28 C19 C20 O4 170.7(3) . . . . ?
C28 C19 C20 C21 54.2(4) . . . . ?
C28 C19 C20 C22 -75.4(4) . . . . ?
C28 C19 C32 C31 -40.2(5) . . . . ?
C28 C29 C30 C31 41.2(5) . . . . ?
C29 C30 C31 C32 -40.0(5) . . . . ?
C30 C31 C32 C19 40.7(6) . . . . ?
C32 C19 C20 O4 -49.1(4) . . . . ?
C32 C19 C20 C21 -165.5(3) . . . . ?
C32 C19 C20 C22 64.8(4) . . . . ?
C32 C19 C28 C29 40.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
