# Supplementary Information (SI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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 2416104'
loop_
_audit_author_name
_audit_author_address
'Sun Yajun'
;Shaanxi Normal University
China
;
_audit_update_record             
;
2025-01-10 deposited with the CCDC.	2026-01-12 downloaded from the CCDC.
;
_audit_creation_date             2025-01-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H38 O'
_chemical_formula_sum            'C32 H38 O'
_chemical_formula_weight         438.62
_chemical_absolute_configuration ad
_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 0.0181 0.0091 '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 0.0492 0.0322 '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                   6.2977(4)
_cell_length_b                   14.2719(9)
_cell_length_c                   27.7472(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2493.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9471
_cell_measurement_temperature    229.00
_cell_measurement_theta_max      68.235
_cell_measurement_theta_min      3.186
_shelx_estimated_absorpt_T_max   0.950
_shelx_estimated_absorpt_T_min   0.861
_exptl_absorpt_coefficient_mu    0.514
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0958 before and 0.0461 after correction.
The Ratio of minimum to maximum transmission is 0.9082.
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    1.168
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            45421
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.304
_diffrn_reflns_theta_min         3.185
_diffrn_ambient_temperature      229.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           50.0
_diffrn_source_power             2.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.733
_reflns_Friedel_fraction_full    0.988
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                4448
_reflns_number_total             4510
_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 (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.148
_refine_diff_density_min         -0.115
_refine_diff_density_rms         0.026
_refine_ls_abs_structure_details 
;
 Flack x determined using 1855 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4510
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0326
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0540P)²+0.3561P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0894
_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:
 C002(H002), C003(H003), C004(H004), C006(H006)
2.b Secondary CH2 refined with riding coordinates:
 C00A(H00A,H00B), C00B(H00C,H00D), C00G(H00I,H00J), C00H(H00K,H00L), C00J(H00P,
 H00Q), C00N(H00U,H00V), C00O(H00W,H00X), C00S(H00,H), C00T(H1,HA)
2.c Aromatic/amide H refined with riding coordinates:
 C00F(H00H), C00K(H00R), C00L(H00S), C00M(H00T), C00P(H00Y), C00R(H00Z),
 C00U(H2), C00V(H3), C00W(H4), C00X(H5)
2.d Idealised Me refined as rotating group:
 C00C(H00E,H00F,H00G), C00I(H00M,H00N,H00O)
;
_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
O001 O 0.7778(3) -0.25259(11) 0.72498(6) 0.0630(4) Uani 1 1 d . . . . .
C002 C 0.6322(2) 0.26079(11) 0.64655(5) 0.0270(3) Uani 1 1 d . . . . .
H002 H 0.754176 0.242244 0.626162 0.032 Uiso 1 1 calc R U . . .
C003 C 0.5930(2) 0.18037(11) 0.68160(5) 0.0273(3) Uani 1 1 d . . . . .
H003 H 0.468828 0.196178 0.701933 0.033 Uiso 1 1 calc R U . . .
C004 C 0.5174(3) 0.36936(11) 0.58524(6) 0.0305(3) Uani 1 1 d . . . . .
H004 H 0.389554 0.406835 0.577508 0.037 Uiso 1 1 calc R U . . .
C005 C 0.4451(3) 0.27957(11) 0.61239(5) 0.0285(3) Uani 1 1 d . . . . .
C006 C 0.5420(2) 0.09091(11) 0.65282(5) 0.0285(3) Uani 1 1 d . . . . .
H006 H 0.671371 0.076020 0.634044 0.034 Uiso 1 1 calc R U . . .
C007 C 0.6760(3) 0.61715(11) 0.46048(6) 0.0349(4) Uani 1 1 d . . . . .
C008 C 0.4984(3) 0.00390(11) 0.68550(6) 0.0309(3) Uani 1 1 d . . . . .
C009 C 0.6612(3) 0.44302(11) 0.50978(6) 0.0372(4) Uani 1 1 d . . . . .
C00A C 0.6423(3) 0.35324(12) 0.53823(6) 0.0406(4) Uani 1 1 d . . . . .
H00A H 0.784436 0.329670 0.545926 0.049 Uiso 1 1 calc R U . . .
H00B H 0.569663 0.305857 0.518692 0.049 Uiso 1 1 calc R U . . .
C00B C 0.6831(3) 0.35797(11) 0.66677(6) 0.0338(4) Uani 1 1 d . . . . .
H00C H 0.830044 0.361064 0.678303 0.041 Uiso 1 1 calc R U . . .
H00D H 0.587244 0.374021 0.693331 0.041 Uiso 1 1 calc R U . . .
C00C C 0.2884(3) 0.01490(14) 0.71398(7) 0.0440(4) Uani 1 1 d . . . . .
H00E H 0.288544 0.074485 0.730792 0.066 Uiso 1 1 calc R U . . .
H00F H 0.275682 -0.035663 0.737164 0.066 Uiso 1 1 calc R U . . .
H00G H 0.169347 0.012757 0.691819 0.066 Uiso 1 1 calc R U . . .
C00D C 0.6810(3) 0.70983(12) 0.43547(6) 0.0382(4) Uani 1 1 d . . . . .
C00E C 0.6769(3) -0.00621(12) 0.72228(6) 0.0329(4) Uani 1 1 d . . . . .
C00F C 0.7663(3) -0.08923(14) 0.73239(6) 0.0398(4) Uani 1 1 d . . . . .
H00H H 0.884485 -0.089595 0.753084 0.048 Uiso 1 1 calc R U . . .
C00G C 0.7838(3) 0.16307(12) 0.71430(6) 0.0359(4) Uani 1 1 d . . . . .
H00I H 0.909053 0.149675 0.694511 0.043 Uiso 1 1 calc R U . . .
H00J H 0.812994 0.219647 0.733188 0.043 Uiso 1 1 calc R U . . .
C00H C 0.6492(3) 0.42373(12) 0.62351(6) 0.0402(4) Uani 1 1 d . . . . .
H00K H 0.786313 0.442609 0.609929 0.048 Uiso 1 1 calc R U . . .
H00L H 0.572821 0.480198 0.633678 0.048 Uiso 1 1 calc R U . . .
C00I C 0.2409(3) 0.30672(14) 0.63985(7) 0.0394(4) Uani 1 1 d . . . . .
H00M H 0.208505 0.258889 0.663568 0.059 Uiso 1 1 calc R U . . .
H00N H 0.123945 0.312003 0.617262 0.059 Uiso 1 1 calc R U . . .
H00O H 0.261983 0.366322 0.655950 0.059 Uiso 1 1 calc R U . . .
C00J C 0.4073(3) 0.19122(11) 0.58290(6) 0.0381(4) Uani 1 1 d . . . . .
H00P H 0.532413 0.178423 0.562952 0.046 Uiso 1 1 calc R U . . .
H00Q H 0.285923 0.200953 0.561380 0.046 Uiso 1 1 calc R U . . .
C00K C 0.8461(3) 0.58523(13) 0.48775(7) 0.0438(4) Uani 1 1 d . . . . .
H00R H 0.969144 0.622277 0.489989 0.053 Uiso 1 1 calc R U . . .
C00L C 0.8392(3) 0.49992(13) 0.51182(7) 0.0440(4) Uani 1 1 d . . . . .
H00S H 0.957570 0.480424 0.529851 0.053 Uiso 1 1 calc R U . . .
C00M C 0.4992(3) 0.55843(13) 0.45766(7) 0.0421(4) Uani 1 1 d . . . . .
H00T H 0.381585 0.576957 0.439104 0.051 Uiso 1 1 calc R U . . .
C00N C 0.7432(3) 0.08112(13) 0.74834(6) 0.0401(4) Uani 1 1 d . . . . .
H00U H 0.872914 0.068224 0.766703 0.048 Uiso 1 1 calc R U . . .
H00V H 0.631918 0.098669 0.771305 0.048 Uiso 1 1 calc R U . . .
C00O C 0.3636(3) 0.10673(12) 0.61567(6) 0.0384(4) Uani 1 1 d . . . . .
H00W H 0.348476 0.050409 0.595762 0.046 Uiso 1 1 calc R U . . .
H00X H 0.229210 0.116631 0.632735 0.046 Uiso 1 1 calc R U . . .
C00P C 0.4937(3) 0.47353(13) 0.48164(7) 0.0423(4) Uani 1 1 d . . . . .
H00Y H 0.372602 0.435454 0.478731 0.051 Uiso 1 1 calc R U . . .
C00Q C 0.6933(3) -0.17857(13) 0.71361(7) 0.0442(4) Uani 1 1 d . . . . .
C00R C 0.8316(4) 0.77650(14) 0.44689(8) 0.0568(6) Uani 1 1 d . . . . .
H00Z H 0.932458 0.763300 0.470931 0.068 Uiso 1 1 calc R U . . .
C00S C 0.4902(4) -0.08368(12) 0.65369(7) 0.0456(5) Uani 1 1 d . . . . .
H00 H 0.357807 -0.082899 0.635154 0.055 Uiso 1 1 calc R U . . .
H H 0.608252 -0.081313 0.630704 0.055 Uiso 1 1 calc R U . . .
C00T C 0.5029(4) -0.17568(13) 0.68177(8) 0.0530(5) Uani 1 1 d . . . . .
H1 H 0.374640 -0.182896 0.701414 0.064 Uiso 1 1 calc R U . . .
HA H 0.508702 -0.228178 0.659037 0.064 Uiso 1 1 calc R U . . .
C00U C 0.6934(5) 0.88366(14) 0.38875(8) 0.0573(6) Uani 1 1 d . . . . .
H2 H 0.696837 0.942369 0.373405 0.069 Uiso 1 1 calc R U . . .
C00V C 0.8374(5) 0.86237(15) 0.42372(8) 0.0645(7) Uani 1 1 d . . . . .
H3 H 0.941783 0.906465 0.432210 0.077 Uiso 1 1 calc R U . . .
C00W C 0.5390(4) 0.73274(16) 0.39926(10) 0.0631(6) Uani 1 1 d . . . . .
H4 H 0.436053 0.688577 0.390022 0.076 Uiso 1 1 calc R U . . .
C00X C 0.5443(5) 0.81874(17) 0.37626(10) 0.0702(7) Uani 1 1 d . . . . .
H5 H 0.444852 0.832450 0.351993 0.084 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
O001 C00Q 1.224(2) . ?
C002 H002 0.9900 . ?
C002 C003 1.525(2) . ?
C002 C005 1.536(2) . ?
C002 C00B 1.530(2) . ?
C003 H003 0.9900 . ?
C003 C006 1.540(2) . ?
C003 C00G 1.526(2) . ?
C004 H004 0.9900 . ?
C004 C005 1.555(2) . ?
C004 C00A 1.540(2) . ?
C004 C00H 1.555(2) . ?
C005 C00I 1.544(2) . ?
C005 C00J 1.522(2) . ?
C006 H006 0.9900 . ?
C006 C008 1.562(2) . ?
C006 C00O 1.541(2) . ?
C007 C00D 1.494(2) . ?
C007 C00K 1.389(3) . ?
C007 C00M 1.396(3) . ?
C008 C00C 1.549(2) . ?
C008 C00E 1.525(2) . ?
C008 C00S 1.531(2) . ?
C009 C00A 1.510(2) . ?
C009 C00L 1.385(3) . ?
C009 C00P 1.383(3) . ?
C00A H00A 0.9800 . ?
C00A H00B 0.9800 . ?
C00B H00C 0.9800 . ?
C00B H00D 0.9800 . ?
C00B C00H 1.539(2) . ?
C00C H00E 0.9700 . ?
C00C H00F 0.9700 . ?
C00C H00G 0.9700 . ?
C00D C00R 1.380(3) . ?
C00D C00W 1.384(3) . ?
C00E C00F 1.341(3) . ?
C00E C00N 1.500(3) . ?
C00F H00H 0.9400 . ?
C00F C00Q 1.452(3) . ?
C00G H00I 0.9800 . ?
C00G H00J 0.9800 . ?
C00G C00N 1.525(2) . ?
C00H H00K 0.9800 . ?
C00H H00L 0.9800 . ?
C00I H00M 0.9700 . ?
C00I H00N 0.9700 . ?
C00I H00O 0.9700 . ?
C00J H00P 0.9800 . ?
C00J H00Q 0.9800 . ?
C00J C00O 1.535(2) . ?
C00K H00R 0.9400 . ?
C00K C00L 1.389(3) . ?
C00L H00S 0.9400 . ?
C00M H00T 0.9400 . ?
C00M C00P 1.383(2) . ?
C00N H00U 0.9800 . ?
C00N H00V 0.9800 . ?
C00O H00W 0.9800 . ?
C00O H00X 0.9800 . ?
C00P H00Y 0.9400 . ?
C00Q C00T 1.490(3) . ?
C00R H00Z 0.9400 . ?
C00R C00V 1.385(3) . ?
C00S H00 0.9800 . ?
C00S H 0.9800 . ?
C00S C00T 1.529(2) . ?
C00T H1 0.9800 . ?
C00T HA 0.9800 . ?
C00U H2 0.9400 . ?
C00U C00V 1.362(4) . ?
C00U C00X 1.364(4) . ?
C00V H3 0.9400 . ?
C00W H4 0.9400 . ?
C00W C00X 1.384(3) . ?
C00X H5 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
C003 C002 H002 106.8 . . ?
C003 C002 C005 113.63(12) . . ?
C003 C002 C00B 118.85(13) . . ?
C005 C002 H002 106.8 . . ?
C00B C002 H002 106.8 . . ?
C00B C002 C005 103.23(13) . . ?
C002 C003 H003 108.7 . . ?
C002 C003 C006 109.09(12) . . ?
C002 C003 C00G 111.93(13) . . ?
C006 C003 H003 108.7 . . ?
C00G C003 H003 108.7 . . ?
C00G C003 C006 109.77(13) . . ?
C005 C004 H004 108.2 . . ?
C005 C004 C00H 103.69(12) . . ?
C00A C004 H004 108.2 . . ?
C00A C004 C005 115.89(13) . . ?
C00A C004 C00H 112.34(15) . . ?
C00H C004 H004 108.2 . . ?
C002 C005 C004 102.62(13) . . ?
C002 C005 C00I 112.23(12) . . ?
C00I C005 C004 106.02(13) . . ?
C00J C005 C002 107.90(13) . . ?
C00J C005 C004 117.91(13) . . ?
C00J C005 C00I 110.05(15) . . ?
C003 C006 H006 106.2 . . ?
C003 C006 C008 113.24(12) . . ?
C003 C006 C00O 112.17(13) . . ?
C008 C006 H006 106.2 . . ?
C00O C006 H006 106.2 . . ?
C00O C006 C008 112.11(12) . . ?
C00K C007 C00D 121.83(17) . . ?
C00K C007 C00M 116.68(16) . . ?
C00M C007 C00D 121.48(17) . . ?
C00C C008 C006 111.46(13) . . ?
C00E C008 C006 109.50(13) . . ?
C00E C008 C00C 107.33(13) . . ?
C00E C008 C00S 109.46(14) . . ?
C00S C008 C006 108.67(13) . . ?
C00S C008 C00C 110.39(15) . . ?
C00L C009 C00A 122.68(18) . . ?
C00P C009 C00A 120.16(18) . . ?
C00P C009 C00L 117.12(16) . . ?
C004 C00A H00A 109.5 . . ?
C004 C00A H00B 109.5 . . ?
C009 C00A C004 110.88(14) . . ?
C009 C00A H00A 109.5 . . ?
C009 C00A H00B 109.5 . . ?
H00A C00A H00B 108.1 . . ?
C002 C00B H00C 111.0 . . ?
C002 C00B H00D 111.0 . . ?
C002 C00B C00H 103.75(13) . . ?
H00C C00B H00D 109.0 . . ?
C00H C00B H00C 111.0 . . ?
C00H C00B H00D 111.0 . . ?
C008 C00C H00E 109.5 . . ?
C008 C00C H00F 109.5 . . ?
C008 C00C H00G 109.5 . . ?
H00E C00C H00F 109.5 . . ?
H00E C00C H00G 109.5 . . ?
H00F C00C H00G 109.5 . . ?
C00R C00D C007 121.20(18) . . ?
C00R C00D C00W 116.60(17) . . ?
C00W C00D C007 122.19(18) . . ?
C00F C00E C008 122.19(16) . . ?
C00F C00E C00N 121.08(15) . . ?
C00N C00E C008 116.69(14) . . ?
C00E C00F H00H 117.7 . . ?
C00E C00F C00Q 124.60(16) . . ?
C00Q C00F H00H 117.7 . . ?
C003 C00G H00I 109.4 . . ?
C003 C00G H00J 109.4 . . ?
H00I C00G H00J 108.0 . . ?
C00N C00G C003 111.13(14) . . ?
C00N C00G H00I 109.4 . . ?
C00N C00G H00J 109.4 . . ?
C004 C00H H00K 110.2 . . ?
C004 C00H H00L 110.2 . . ?
C00B C00H C004 107.61(13) . . ?
C00B C00H H00K 110.2 . . ?
C00B C00H H00L 110.2 . . ?
H00K C00H H00L 108.5 . . ?
C005 C00I H00M 109.5 . . ?
C005 C00I H00N 109.5 . . ?
C005 C00I H00O 109.5 . . ?
H00M C00I H00N 109.5 . . ?
H00M C00I H00O 109.5 . . ?
H00N C00I H00O 109.5 . . ?
C005 C00J H00P 109.4 . . ?
C005 C00J H00Q 109.4 . . ?
C005 C00J C00O 111.12(13) . . ?
H00P C00J H00Q 108.0 . . ?
C00O C00J H00P 109.4 . . ?
C00O C00J H00Q 109.4 . . ?
C007 C00K H00R 119.2 . . ?
C007 C00K C00L 121.68(18) . . ?
C00L C00K H00R 119.2 . . ?
C009 C00L C00K 121.30(18) . . ?
C009 C00L H00S 119.4 . . ?
C00K C00L H00S 119.4 . . ?
C007 C00M H00T 119.4 . . ?
C00P C00M C007 121.27(19) . . ?
C00P C00M H00T 119.4 . . ?
C00E C00N C00G 112.67(13) . . ?
C00E C00N H00U 109.1 . . ?
C00E C00N H00V 109.1 . . ?
C00G C00N H00U 109.1 . . ?
C00G C00N H00V 109.1 . . ?
H00U C00N H00V 107.8 . . ?
C006 C00O H00W 109.1 . . ?
C006 C00O H00X 109.1 . . ?
C00J C00O C006 112.35(14) . . ?
C00J C00O H00W 109.1 . . ?
C00J C00O H00X 109.1 . . ?
H00W C00O H00X 107.9 . . ?
C009 C00P C00M 121.91(18) . . ?
C009 C00P H00Y 119.0 . . ?
C00M C00P H00Y 119.0 . . ?
O001 C00Q C00F 121.85(19) . . ?
O001 C00Q C00T 121.8(2) . . ?
C00F C00Q C00T 116.31(16) . . ?
C00D C00R H00Z 119.3 . . ?
C00D C00R C00V 121.4(2) . . ?
C00V C00R H00Z 119.3 . . ?
C008 C00S H00 108.8 . . ?
C008 C00S H 108.8 . . ?
H00 C00S H 107.7 . . ?
C00T C00S C008 113.93(15) . . ?
C00T C00S H00 108.8 . . ?
C00T C00S H 108.8 . . ?
C00Q C00T C00S 111.59(17) . . ?
C00Q C00T H1 109.3 . . ?
C00Q C00T HA 109.3 . . ?
C00S C00T H1 109.3 . . ?
C00S C00T HA 109.3 . . ?
H1 C00T HA 108.0 . . ?
C00V C00U H2 120.4 . . ?
C00V C00U C00X 119.19(19) . . ?
C00X C00U H2 120.4 . . ?
C00R C00V H3 119.6 . . ?
C00U C00V C00R 120.7(2) . . ?
C00U C00V H3 119.6 . . ?
C00D C00W H4 119.0 . . ?
C00X C00W C00D 121.9(2) . . ?
C00X C00W H4 119.0 . . ?
C00U C00X C00W 120.1(2) . . ?
C00U C00X H5 119.9 . . ?
C00W C00X H5 119.9 . . ?

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
O001 C00Q C00T C00S -152.5(2) . . . . ?
C002 C003 C006 C008 -179.85(12) . . . . ?
C002 C003 C006 C00O -51.74(17) . . . . ?
C002 C003 C00G C00N -178.79(13) . . . . ?
C002 C005 C00J C00O 57.58(19) . . . . ?
C002 C00B C00H C004 16.78(18) . . . . ?
C003 C002 C005 C004 174.29(12) . . . . ?
C003 C002 C005 C00I 60.90(17) . . . . ?
C003 C002 C005 C00J -60.51(17) . . . . ?
C003 C002 C00B C00H -164.45(14) . . . . ?
C003 C006 C008 C00C 68.37(17) . . . . ?
C003 C006 C008 C00E -50.24(17) . . . . ?
C003 C006 C008 C00S -169.76(14) . . . . ?
C003 C006 C00O C00J 52.21(19) . . . . ?
C003 C00G C00N C00E 53.6(2) . . . . ?
C004 C005 C00J C00O 173.11(15) . . . . ?
C005 C002 C003 C006 57.41(16) . . . . ?
C005 C002 C003 C00G 179.09(13) . . . . ?
C005 C002 C00B C00H -37.61(16) . . . . ?
C005 C004 C00A C009 167.46(16) . . . . ?
C005 C004 C00H C00B 10.08(18) . . . . ?
C005 C00J C00O C006 -55.4(2) . . . . ?
C006 C003 C00G C00N -57.51(18) . . . . ?
C006 C008 C00E C00F -135.80(16) . . . . ?
C006 C008 C00E C00N 46.52(19) . . . . ?
C006 C008 C00S C00T 165.82(17) . . . . ?
C007 C00D C00R C00V 179.8(2) . . . . ?
C007 C00D C00W C00X 179.9(2) . . . . ?
C007 C00K C00L C009 -0.3(3) . . . . ?
C007 C00M C00P C009 0.6(3) . . . . ?
C008 C006 C00O C00J -179.08(14) . . . . ?
C008 C00E C00F C00Q -6.0(3) . . . . ?
C008 C00E C00N C00G -49.4(2) . . . . ?
C008 C00S C00T C00Q -54.3(2) . . . . ?
C00A C004 C005 C002 90.62(17) . . . . ?
C00A C004 C005 C00I -151.50(15) . . . . ?
C00A C004 C005 C00J -27.7(2) . . . . ?
C00A C004 C00H C00B -115.79(15) . . . . ?
C00A C009 C00L C00K -175.62(17) . . . . ?
C00A C009 C00P C00M 175.53(17) . . . . ?
C00B C002 C003 C006 179.16(13) . . . . ?
C00B C002 C003 C00G -59.16(19) . . . . ?
C00B C002 C005 C004 44.21(14) . . . . ?
C00B C002 C005 C00I -69.18(16) . . . . ?
C00B C002 C005 C00J 169.41(13) . . . . ?
C00C C008 C00E C00F 103.06(19) . . . . ?
C00C C008 C00E C00N -74.62(18) . . . . ?
C00C C008 C00S C00T -71.7(2) . . . . ?
C00D C007 C00K C00L 178.57(17) . . . . ?
C00D C007 C00M C00P -178.72(17) . . . . ?
C00D C00R C00V C00U 0.0(4) . . . . ?
C00D C00W C00X C00U 0.6(4) . . . . ?
C00E C008 C00S C00T 46.3(2) . . . . ?
C00E C00F C00Q O001 -178.18(19) . . . . ?
C00E C00F C00Q C00T -1.3(3) . . . . ?
C00F C00E C00N C00G 132.88(17) . . . . ?
C00F C00Q C00T C00S 30.5(3) . . . . ?
C00G C003 C006 C008 57.17(17) . . . . ?
C00G C003 C006 C00O -174.71(13) . . . . ?
C00H C004 C005 C002 -32.96(16) . . . . ?
C00H C004 C005 C00I 84.92(16) . . . . ?
C00H C004 C005 C00J -151.33(15) . . . . ?
C00H C004 C00A C009 -73.6(2) . . . . ?
C00I C005 C00J C00O -65.17(18) . . . . ?
C00K C007 C00D C00R -14.9(3) . . . . ?
C00K C007 C00D C00W 163.8(2) . . . . ?
C00K C007 C00M C00P 1.1(3) . . . . ?
C00L C009 C00A C004 97.2(2) . . . . ?
C00L C009 C00P C00M -2.0(3) . . . . ?
C00M C007 C00D C00R 164.9(2) . . . . ?
C00M C007 C00D C00W -16.4(3) . . . . ?
C00M C007 C00K C00L -1.2(3) . . . . ?
C00N C00E C00F C00Q 171.61(16) . . . . ?
C00O C006 C008 C00C -59.78(19) . . . . ?
C00O C006 C008 C00E -178.38(14) . . . . ?
C00O C006 C008 C00S 62.09(18) . . . . ?
C00P C009 C00A C004 -80.2(2) . . . . ?
C00P C009 C00L C00K 1.9(3) . . . . ?
C00R C00D C00W C00X -1.3(4) . . . . ?
C00S C008 C00E C00F -16.8(2) . . . . ?
C00S C008 C00E C00N 165.55(15) . . . . ?
C00V C00U C00X C00W 0.5(4) . . . . ?
C00W C00D C00R C00V 1.0(4) . . . . ?
C00X C00U C00V C00R -0.8(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
