# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_240102sf
_database_code_depnum_ccdc_archive 'CCDC 2416280'
loop_
_audit_author_name
_audit_author_address
'Wei Tan'
;Jiangsu Normal University 
China
;
_audit_update_record             
;
2025-01-11 deposited with the CCDC.	2025-04-15 downloaded from the CCDC.
;
_audit_creation_date             2024-01-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H22 O2, C3 H6 O'
_chemical_formula_sum            'C34 H28 O3'
_chemical_formula_weight         484.56
_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'
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      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                   10.44920(10)
_cell_length_b                   18.0226(3)
_cell_length_c                   14.2881(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.5920(10)
_cell_angle_gamma                90
_cell_volume                     2591.74(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9870
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      54.983
_cell_measurement_theta_min      3.517
_shelx_estimated_absorpt_T_max   0.981
_shelx_estimated_absorpt_T_min   0.936
_exptl_absorpt_coefficient_mu    0.392
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.6165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1005 before and 0.0594 after correction.
The Ratio of minimum to maximum transmission is 0.8211.
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    1.242
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33732
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.964
_diffrn_reflns_theta_min         3.515
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_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           2.57
_diffrn_source_power             0.17933459999999998
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4268
_reflns_number_total             4924
_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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.220
_refine_diff_density_min         -0.205
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         4924
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0374
_refine_ls_restrained_S_all      1.046
_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)+(0.0481P)²+0.6624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.0998
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25),
  C27(H27), C28(H28), C30(H30), C31(H31)
2.c Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C34(H34A,H34B,H34C)
2.d Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_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
O1 O 0.81763(9) 0.76839(4) 0.36683(6) 0.0293(2) Uani 1 1 d . . . . .
O2 O 0.36800(12) 0.41587(6) 0.08192(8) 0.0527(3) Uani 1 1 d . . . . .
H2 H 0.368800 0.376279 0.113081 0.079 Uiso 1 1 calc R U . . .
C1 C 0.90435(12) 0.70451(6) 0.37202(8) 0.0258(3) Uani 1 1 d . . . . .
H1 H 0.978027 0.719726 0.343657 0.031 Uiso 1 1 calc R U . . .
C2 C 0.82812(12) 0.64319(6) 0.30900(8) 0.0243(2) Uani 1 1 d . . . . .
C3 C 0.70261(12) 0.63083(6) 0.31481(8) 0.0238(2) Uani 1 1 d . . . . .
C4 C 0.64745(12) 0.68185(6) 0.37582(8) 0.0258(2) Uani 1 1 d . . . . .
C5 C 0.70375(12) 0.75177(7) 0.39236(8) 0.0281(3) Uani 1 1 d . . . . .
C6 C 0.64610(14) 0.81071(7) 0.43157(9) 0.0357(3) Uani 1 1 d . . . . .
H6 H 0.683462 0.859062 0.436070 0.043 Uiso 1 1 calc R U . . .
C7 C 0.53601(15) 0.79743(8) 0.46297(10) 0.0399(3) Uani 1 1 d . . . . .
H7 H 0.494789 0.837287 0.487262 0.048 Uiso 1 1 calc R U . . .
C8 C 0.48216(13) 0.72491(7) 0.45986(9) 0.0345(3) Uani 1 1 d . . . . .
C9 C 0.37679(14) 0.70973(9) 0.50192(10) 0.0423(3) Uani 1 1 d . . . . .
H9 H 0.339642 0.749202 0.530063 0.051 Uiso 1 1 calc R U . . .
C10 C 0.32736(14) 0.63986(9) 0.50302(10) 0.0429(3) Uani 1 1 d . . . . .
H10 H 0.256982 0.630713 0.531955 0.051 Uiso 1 1 calc R U . . .
C11 C 0.38159(13) 0.58154(8) 0.46091(10) 0.0374(3) Uani 1 1 d . . . . .
H11 H 0.347806 0.532690 0.461895 0.045 Uiso 1 1 calc R U . . .
C12 C 0.48299(12) 0.59413(7) 0.41823(9) 0.0308(3) Uani 1 1 d . . . . .
H12 H 0.517518 0.553746 0.389879 0.037 Uiso 1 1 calc R U . . .
C13 C 0.53714(12) 0.66599(7) 0.41558(8) 0.0283(3) Uani 1 1 d . . . . .
C14 C 0.96686(11) 0.68322(6) 0.47778(8) 0.0246(2) Uani 1 1 d . . . . .
C15 C 0.95499(12) 0.61250(7) 0.51368(9) 0.0301(3) Uani 1 1 d . . . . .
H15 H 0.903363 0.576014 0.472220 0.036 Uiso 1 1 calc R U . . .
C16 C 1.01809(13) 0.59482(8) 0.60971(9) 0.0345(3) Uani 1 1 d . . . . .
H16 H 1.008931 0.546487 0.633642 0.041 Uiso 1 1 calc R U . . .
C17 C 1.09391(13) 0.64722(8) 0.67034(9) 0.0363(3) Uani 1 1 d . . . . .
H17 H 1.137192 0.635006 0.735889 0.044 Uiso 1 1 calc R U . . .
C18 C 1.10676(13) 0.71761(8) 0.63543(9) 0.0359(3) Uani 1 1 d . . . . .
H18 H 1.159173 0.753698 0.677121 0.043 Uiso 1 1 calc R U . . .
C19 C 1.04339(12) 0.73584(7) 0.53962(9) 0.0300(3) Uani 1 1 d . . . . .
H19 H 1.052317 0.784384 0.516253 0.036 Uiso 1 1 calc R U . . .
C20 C 0.90006(12) 0.60230(6) 0.24844(8) 0.0263(3) Uani 1 1 d . . . . .
C21 C 0.83814(14) 0.57423(8) 0.15574(9) 0.0347(3) Uani 1 1 d . . . . .
H21 H 0.746103 0.582826 0.127667 0.042 Uiso 1 1 calc R U . . .
C22 C 0.91056(16) 0.53402(9) 0.10492(10) 0.0449(4) Uani 1 1 d . . . . .
H22 H 0.866973 0.514562 0.042728 0.054 Uiso 1 1 calc R U . . .
C23 C 1.04526(16) 0.52171(8) 0.14318(11) 0.0443(4) Uani 1 1 d . . . . .
H23 H 1.093296 0.492738 0.108572 0.053 Uiso 1 1 calc R U . . .
C24 C 1.10903(14) 0.55208(8) 0.23234(10) 0.0374(3) Uani 1 1 d . . . . .
H24 H 1.202098 0.545641 0.258205 0.045 Uiso 1 1 calc R U . . .
C25 C 1.03727(13) 0.59195(7) 0.28406(9) 0.0304(3) Uani 1 1 d . . . . .
H25 H 1.082338 0.612736 0.345131 0.036 Uiso 1 1 calc R U . . .
C26 C 0.61502(11) 0.57299(6) 0.25488(8) 0.0244(2) Uani 1 1 d . . . . .
C27 C 0.50215(12) 0.59355(7) 0.18303(9) 0.0299(3) Uani 1 1 d . . . . .
H27 H 0.479662 0.644575 0.173448 0.036 Uiso 1 1 calc R U . . .
C28 C 0.42195(14) 0.54076(8) 0.12520(10) 0.0370(3) Uani 1 1 d . . . . .
H28 H 0.345761 0.555820 0.075874 0.044 Uiso 1 1 calc R U . . .
C29 C 0.45244(14) 0.46619(7) 0.13903(9) 0.0352(3) Uani 1 1 d . . . . .
C30 C 0.56540(13) 0.44444(7) 0.21027(9) 0.0330(3) Uani 1 1 d . . . . .
H30 H 0.587482 0.393351 0.219759 0.040 Uiso 1 1 calc R U . . .
C31 C 0.64552(12) 0.49781(7) 0.26732(9) 0.0278(3) Uani 1 1 d . . . . .
H31 H 0.722654 0.482786 0.315796 0.033 Uiso 1 1 calc R U . . .
O3 O 0.34811(11) 0.29535(6) 0.19241(8) 0.0497(3) Uani 1 1 d . . . . .
C32 C 0.22678(19) 0.23915(10) 0.29102(13) 0.0583(4) Uani 1 1 d . . . . .
H32A H 0.132160 0.251044 0.278527 0.087 Uiso 1 1 calc R U . . .
H32B H 0.264746 0.230411 0.360671 0.087 Uiso 1 1 calc R U . . .
H32C H 0.237175 0.194453 0.254699 0.087 Uiso 1 1 calc R U . . .
C33 C 0.29701(13) 0.30225(8) 0.25937(10) 0.0382(3) Uani 1 1 d . . . . .
C34 C 0.30060(19) 0.37413(9) 0.31216(13) 0.0555(4) Uani 1 1 d . . . . .
H34A H 0.346149 0.411611 0.283178 0.083 Uiso 1 1 calc R U . . .
H34B H 0.348374 0.367357 0.380706 0.083 Uiso 1 1 calc R U . . .
H34C H 0.209613 0.390557 0.307228 0.083 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
O1 C1 1.4546(14) . ?
O1 C5 1.3682(15) . ?
O2 H2 0.8400 . ?
O2 C29 1.3710(15) . ?
C1 H1 1.0000 . ?
C1 C2 1.5102(16) . ?
C1 C14 1.5252(16) . ?
C2 C3 1.3546(17) . ?
C2 C20 1.4855(16) . ?
C3 C4 1.4858(15) . ?
C3 C26 1.4955(16) . ?
C4 C5 1.3839(17) . ?
C4 C13 1.4440(17) . ?
C5 C6 1.4095(17) . ?
C6 H6 0.9500 . ?
C6 C7 1.363(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.419(2) . ?
C8 C9 1.416(2) . ?
C8 C13 1.4329(17) . ?
C9 H9 0.9500 . ?
C9 C10 1.363(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.404(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.3760(18) . ?
C12 H12 0.9500 . ?
C12 C13 1.4179(18) . ?
C14 C15 1.3918(17) . ?
C14 C19 1.3928(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.3902(18) . ?
C16 H16 0.9500 . ?
C16 C17 1.3787(19) . ?
C17 H17 0.9500 . ?
C17 C18 1.383(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.3903(18) . ?
C19 H19 0.9500 . ?
C20 C21 1.4029(17) . ?
C20 C25 1.3989(18) . ?
C21 H21 0.9500 . ?
C21 C22 1.3857(19) . ?
C22 H22 0.9500 . ?
C22 C23 1.384(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.382(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.3867(18) . ?
C25 H25 0.9500 . ?
C26 C27 1.3897(17) . ?
C26 C31 1.3924(17) . ?
C27 H27 0.9500 . ?
C27 C28 1.3848(18) . ?
C28 H28 0.9500 . ?
C28 C29 1.3830(19) . ?
C29 C30 1.3919(19) . ?
C30 H30 0.9500 . ?
C30 C31 1.3870(17) . ?
C31 H31 0.9500 . ?
O3 C33 1.2209(17) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 C33 1.488(2) . ?
C33 C34 1.495(2) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?

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
C5 O1 C1 112.80(9) . . ?
C29 O2 H2 109.5 . . ?
O1 C1 H1 107.4 . . ?
O1 C1 C2 109.10(9) . . ?
O1 C1 C14 110.16(9) . . ?
C2 C1 H1 107.4 . . ?
C2 C1 C14 115.05(9) . . ?
C14 C1 H1 107.4 . . ?
C3 C2 C1 116.61(10) . . ?
C3 C2 C20 127.15(10) . . ?
C20 C2 C1 116.23(10) . . ?
C2 C3 C4 117.96(10) . . ?
C2 C3 C26 122.22(10) . . ?
C4 C3 C26 119.54(10) . . ?
C5 C4 C3 116.71(11) . . ?
C5 C4 C13 117.43(11) . . ?
C13 C4 C3 125.80(11) . . ?
O1 C5 C4 120.94(11) . . ?
O1 C5 C6 115.86(11) . . ?
C4 C5 C6 123.14(12) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 C5 119.14(12) . . ?
C7 C6 H6 120.4 . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 120.93(12) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C13 119.59(12) . . ?
C9 C8 C7 120.79(12) . . ?
C9 C8 C13 119.61(13) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 C8 121.60(13) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 H10 120.4 . . ?
C9 C10 C11 119.27(13) . . ?
C11 C10 H10 120.4 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 120.93(13) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 119.2 . . ?
C11 C12 C13 121.52(12) . . ?
C13 C12 H12 119.2 . . ?
C8 C13 C4 118.96(11) . . ?
C12 C13 C4 123.90(11) . . ?
C12 C13 C8 117.06(11) . . ?
C15 C14 C1 122.59(10) . . ?
C15 C14 C19 118.85(11) . . ?
C19 C14 C1 118.51(10) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.53(12) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.21(12) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.79(12) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.35(12) . . ?
C19 C18 H18 119.8 . . ?
C14 C19 H19 119.9 . . ?
C18 C19 C14 120.27(12) . . ?
C18 C19 H19 119.9 . . ?
C21 C20 C2 123.48(11) . . ?
C25 C20 C2 118.93(10) . . ?
C25 C20 C21 117.57(11) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.34(13) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 119.4 . . ?
C23 C22 C21 121.16(13) . . ?
C23 C22 H22 119.4 . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119.19(13) . . ?
C24 C23 H23 120.4 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.04(13) . . ?
C25 C24 H24 120.0 . . ?
C20 C25 H25 119.2 . . ?
C24 C25 C20 121.56(12) . . ?
C24 C25 H25 119.2 . . ?
C27 C26 C3 120.29(10) . . ?
C27 C26 C31 118.26(11) . . ?
C31 C26 C3 121.43(10) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 C26 121.00(12) . . ?
C28 C27 H27 119.5 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.20(12) . . ?
C29 C28 H28 119.9 . . ?
O2 C29 C28 118.10(12) . . ?
O2 C29 C30 122.17(12) . . ?
C28 C29 C30 119.72(12) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 C29 119.59(12) . . ?
C31 C30 H30 120.2 . . ?
C26 C31 H31 119.4 . . ?
C30 C31 C26 121.23(11) . . ?
C30 C31 H31 119.4 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
O3 C33 C32 121.04(14) . . ?
O3 C33 C34 121.79(13) . . ?
C32 C33 C34 117.16(14) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

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
O1 C1 C2 C3 -43.45(13) . . . . ?
O1 C1 C2 C20 137.43(10) . . . . ?
O1 C1 C14 C15 123.97(11) . . . . ?
O1 C1 C14 C19 -58.79(13) . . . . ?
O1 C5 C6 C7 -176.89(11) . . . . ?
O2 C29 C30 C31 -178.55(12) . . . . ?
C1 O1 C5 C4 -30.55(14) . . . . ?
C1 O1 C5 C6 152.25(10) . . . . ?
C1 C2 C3 C4 4.75(15) . . . . ?
C1 C2 C3 C26 178.65(10) . . . . ?
C1 C2 C20 C21 -145.75(12) . . . . ?
C1 C2 C20 C25 33.06(15) . . . . ?
C1 C14 C15 C16 177.46(11) . . . . ?
C1 C14 C19 C18 -177.22(11) . . . . ?
C2 C1 C14 C15 0.17(16) . . . . ?
C2 C1 C14 C19 177.41(10) . . . . ?
C2 C3 C4 C5 23.40(15) . . . . ?
C2 C3 C4 C13 -159.44(11) . . . . ?
C2 C3 C26 C27 -113.00(13) . . . . ?
C2 C3 C26 C31 65.25(15) . . . . ?
C2 C20 C21 C22 -177.42(12) . . . . ?
C2 C20 C25 C24 177.77(11) . . . . ?
C3 C2 C20 C21 35.23(18) . . . . ?
C3 C2 C20 C25 -145.96(12) . . . . ?
C3 C4 C5 O1 -10.10(16) . . . . ?
C3 C4 C5 C6 166.89(11) . . . . ?
C3 C4 C13 C8 -170.14(11) . . . . ?
C3 C4 C13 C12 13.25(18) . . . . ?
C3 C26 C27 C28 178.27(11) . . . . ?
C3 C26 C31 C30 -178.71(11) . . . . ?
C4 C3 C26 C27 60.81(15) . . . . ?
C4 C3 C26 C31 -120.94(12) . . . . ?
C4 C5 C6 C7 5.97(19) . . . . ?
C5 O1 C1 C2 56.15(12) . . . . ?
C5 O1 C1 C14 -71.04(12) . . . . ?
C5 C4 C13 C8 7.00(16) . . . . ?
C5 C4 C13 C12 -169.61(11) . . . . ?
C5 C6 C7 C8 2.3(2) . . . . ?
C6 C7 C8 C9 173.19(13) . . . . ?
C6 C7 C8 C13 -5.4(2) . . . . ?
C7 C8 C9 C10 -177.36(14) . . . . ?
C7 C8 C13 C4 0.59(18) . . . . ?
C7 C8 C13 C12 177.43(12) . . . . ?
C8 C9 C10 C11 -0.4(2) . . . . ?
C9 C8 C13 C4 -177.98(11) . . . . ?
C9 C8 C13 C12 -1.14(18) . . . . ?
C9 C10 C11 C12 -0.4(2) . . . . ?
C10 C11 C12 C13 0.4(2) . . . . ?
C11 C12 C13 C4 177.04(12) . . . . ?
C11 C12 C13 C8 0.37(18) . . . . ?
C13 C4 C5 O1 172.50(10) . . . . ?
C13 C4 C5 C6 -10.51(17) . . . . ?
C13 C8 C9 C10 1.2(2) . . . . ?
C14 C1 C2 C3 80.92(13) . . . . ?
C14 C1 C2 C20 -98.21(12) . . . . ?
C14 C15 C16 C17 -0.39(19) . . . . ?
C15 C14 C19 C18 0.13(18) . . . . ?
C15 C16 C17 C18 0.2(2) . . . . ?
C16 C17 C18 C19 0.2(2) . . . . ?
C17 C18 C19 C14 -0.32(19) . . . . ?
C19 C14 C15 C16 0.23(18) . . . . ?
C20 C2 C3 C4 -176.23(10) . . . . ?
C20 C2 C3 C26 -2.33(18) . . . . ?
C20 C21 C22 C23 -1.2(2) . . . . ?
C21 C20 C25 C24 -3.34(18) . . . . ?
C21 C22 C23 C24 -2.0(2) . . . . ?
C22 C23 C24 C25 2.4(2) . . . . ?
C23 C24 C25 C20 0.3(2) . . . . ?
C25 C20 C21 C22 3.75(19) . . . . ?
C26 C3 C4 C5 -150.67(11) . . . . ?
C26 C3 C4 C13 26.48(16) . . . . ?
C26 C27 C28 C29 0.8(2) . . . . ?
C27 C26 C31 C30 -0.43(18) . . . . ?
C27 C28 C29 O2 178.13(12) . . . . ?
C27 C28 C29 C30 -1.1(2) . . . . ?
C28 C29 C30 C31 0.6(2) . . . . ?
C29 C30 C31 C26 0.13(19) . . . . ?
C31 C26 C27 C28 -0.02(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
