# Supplementary Information (SI) for Polymer 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_o_CCD2_0m_5
_audit_block_doi                 10.5517/ccdc.csd.cc2r7b9n
_database_code_depnum_ccdc_archive 'CCDC 2539281'
loop_
_audit_author_name
_audit_author_address
'Matthias Zeller'
;Purdue University
United States of America
;
_audit_update_record             
;
2026-03-19 deposited with the CCDC.	2026-05-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        CCD2
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H26 O8'
_chemical_formula_weight         562.55

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.7456(7)
_cell_length_b                   10.5361(11)
_cell_length_c                   19.3370(18)
_cell_angle_alpha                76.704(4)
_cell_angle_beta                 81.939(5)
_cell_angle_gamma                85.572(7)
_cell_volume                     1322.8(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9844
_cell_measurement_theta_min      4.3166
_cell_measurement_theta_max      79.7050

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_F_000             588
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.832
_shelx_estimated_absorpt_T_min   0.706
_shelx_estimated_absorpt_T_max   0.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.610260
_exptl_absorpt_correction_T_max  0.754304
_exptl_absorpt_process_details   
;
TWINABS 2012/1: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.
(2015). J. Appl. Cryst. 48 3-10.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'I-mu-S 3.0 microsource X-ray tube'
_diffrn_source_current           '1.1 mA'
_diffrn_source_voltage           '50 kV'
_diffrn_radiation_monochromator  'HELIOS multilayer Montel optics'
_diffrn_measurement_device       'four circle diffractometer'
_diffrn_measurement_device_type  'Bruker AXS D8 Quest'
_diffrn_detector_type            
'PhotonIII_C14 charge-integrating and photon counting pixel array'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean 7.4074
_diffrn_reflns_number            42376
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_av_R_equivalents  0.0824
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         4.316
_diffrn_reflns_theta_max         80.360
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             5771
_reflns_number_gt                5266
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Apex5 v2023.9-2 (Bruker, 2023)'
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2020)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2020)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015b)'
_computing_structure_refinement  
;  
SHELXL-2019/2 (Sheldrick, 2015a, 2019), 
SHELXLE Rev1613 (Hübschle et al., 2011)
;
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;The crystal under investigation was found to be non-merohedrally 
twinned. The orientation matrices for the two components were 
identified using the program Cell_Now, with the two components 
being related by a 180 degree rotation around the reciprocal 
a-axis (0 0 1). The two components were integrated using Saint and 
corrected for absorption using twinabs, resulting in the 
following statistics:

11346 data (2455 unique) involve domain 1 only, mean I/sigma 26.3
11303 data (2461 unique) involve domain 2 only, mean I/sigma 20.2
31154 data (4878 unique) involve 2 domains, mean I/sigma 38.4
9 data (9 unique) involve 3 domains, mean I/sigma 36.8

The exact twin matrix identified by the integration program was 
found to be: 

-1.00039  0.00065  0.00080
-0.00300 -1.00060  0.00179
-0.70230 -0.80394  1.00100

The structure was solved using dual methods with only the 
non-overlapping reflections of component 1. The structure was 
refined using the hklf 5 routine with all reflections of component 
1 (including the overlapping ones), resulting in a BASF value of 
0.403(1).

The Rint value given is for all reflections and is based on 
agreement between observed single and composite intensities 
and those calculated from refined unique intensities and twin 
fractions (TWINABS (Sheldrick, 2012)).,Twin
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1131P)²+0.1466P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5771
_refine_ls_number_parameters     386
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0479
_refine_ls_wR_factor_ref         0.1557
_refine_ls_wR_factor_gt          0.1498
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O2 O 1.1327(2) 0.46993(15) 0.39843(7) 0.0361(3) Uani 1 1 d . . . . .
O3 O 0.9452(2) 0.75240(15) 0.16628(7) 0.0338(3) Uani 1 1 d . . . . .
O4 O 0.6530(2) 0.84069(16) 0.19864(7) 0.0385(4) Uani 1 1 d . . . . .
O5 O 0.14095(19) 0.83119(13) 0.38676(7) 0.0281(3) Uani 1 1 d . . . . .
O6 O -0.1517(2) 0.91803(15) 0.41912(7) 0.0330(3) Uani 1 1 d . . . . .
O7 O 0.12679(19) 0.74680(14) 0.65398(7) 0.0278(3) Uani 1 1 d . . . . .
O8 O 0.3777(2) 0.61641(14) 0.62505(7) 0.0321(3) Uani 1 1 d . . . . .
O1 O 0.8628(2) 0.57807(13) 0.43281(7) 0.0279(3) Uani 1 1 d . . . . .
C2 C 0.6850(3) 0.64691(17) 0.41934(10) 0.0247(4) Uani 1 1 d . . . . .
C3 C 0.6474(3) 0.70251(17) 0.34898(9) 0.0246(3) Uani 1 1 d . . . . .
C4 C 0.4581(3) 0.76412(18) 0.34052(10) 0.0266(4) Uani 1 1 d . . . . .
H4 H 0.422371 0.801046 0.294035 0.032 Uiso 1 1 calc R U . . .
C5 C 0.3243(3) 0.77044(18) 0.40052(10) 0.0255(4) Uani 1 1 d . . . . .
C6 C 0.3656(3) 0.72152(17) 0.47103(9) 0.0245(4) Uani 1 1 d . . . . .
C7 C 1.0033(3) 0.54919(18) 0.38001(10) 0.0264(4) Uani 1 1 d . . . . .
C8 C 0.9830(3) 0.62022(17) 0.30516(9) 0.0256(4) Uani 1 1 d . . . . .
C9 C 0.8089(3) 0.69317(17) 0.29160(9) 0.0256(4) Uani 1 1 d . . . . .
C10 C 0.7894(3) 0.76741(19) 0.21774(10) 0.0288(4) Uani 1 1 d . . . . .
C11 C 1.1180(3) 0.6768(2) 0.17882(10) 0.0299(4) Uani 1 1 d . . . . .
C12 C 1.1460(3) 0.60929(19) 0.24855(10) 0.0279(4) Uani 1 1 d . . . . .
C13 C 1.3273(3) 0.5369(2) 0.25823(11) 0.0333(4) Uani 1 1 d . . . . .
H13 H 1.352297 0.491125 0.304813 0.040 Uiso 1 1 calc R U . . .
C14 C 1.4690(3) 0.5322(2) 0.20008(12) 0.0385(5) Uani 1 1 d . . . . .
H14 H 1.591182 0.482632 0.206955 0.046 Uiso 1 1 calc R U . . .
C15 C 1.4360(3) 0.5990(2) 0.13135(11) 0.0402(5) Uani 1 1 d . . . . .
H15 H 1.536510 0.593910 0.092304 0.048 Uiso 1 1 calc R U . . .
C16 C 1.2594(3) 0.6732(2) 0.11833(11) 0.0360(5) Uani 1 1 d . . . . .
C17 C 1.2247(4) 0.7502(3) 0.04266(12) 0.0516(7) Uani 1 1 d . . . . .
C18 C 1.3972(6) 0.7208(5) -0.01362(14) 0.0855(14) Uani 1 1 d . . . . .
H18A H 1.369983 0.768517 -0.061430 0.128 Uiso 1 1 calc R U . . .
H18B H 1.407886 0.626904 -0.011912 0.128 Uiso 1 1 calc R U . . .
H18C H 1.523264 0.748408 -0.003279 0.128 Uiso 1 1 calc R U . . .
C19 C 1.2186(5) 0.8966(3) 0.04001(17) 0.0709(10) Uani 1 1 d . . . . .
H19A H 1.205507 0.945511 -0.008903 0.106 Uiso 1 1 calc R U . . .
H19B H 1.342715 0.918709 0.054558 0.106 Uiso 1 1 calc R U . . .
H19C H 1.103806 0.919361 0.072681 0.106 Uiso 1 1 calc R U . . .
C20 C 1.0306(5) 0.7124(4) 0.02141(14) 0.0691(10) Uani 1 1 d . . . . .
H20A H 1.019773 0.755039 -0.028701 0.104 Uiso 1 1 calc R U . . .
H20B H 0.915529 0.740621 0.052156 0.104 Uiso 1 1 calc R U . . .
H20C H 1.032411 0.617506 0.027175 0.104 Uiso 1 1 calc R U . . .
C21 C -0.0032(3) 0.85877(18) 0.43910(10) 0.0252(4) Uani 1 1 d . . . . .
C22 C 0.0357(3) 0.81220(17) 0.51471(10) 0.0240(3) Uani 1 1 d . . . . .
C23 C 0.2148(3) 0.74515(17) 0.52843(9) 0.0238(4) Uani 1 1 d . . . . .
C24 C 0.2509(3) 0.69590(18) 0.60382(9) 0.0253(4) Uani 1 1 d . . . . .
C25 C -0.0549(3) 0.81035(17) 0.64169(10) 0.0244(4) Uani 1 1 d . . . . .
C26 C -0.1121(3) 0.83924(18) 0.57261(10) 0.0248(4) Uani 1 1 d . . . . .
C27 C -0.3064(3) 0.89521(19) 0.56438(10) 0.0282(4) Uani 1 1 d . . . . .
H27 H -0.352090 0.914933 0.518636 0.034 Uiso 1 1 calc R U . . .
C28 C -0.4300(3) 0.9212(2) 0.62328(11) 0.0315(4) Uani 1 1 d . . . . .
H28 H -0.562535 0.956190 0.618046 0.038 Uiso 1 1 calc R U . . .
C29 C -0.3630(3) 0.89667(19) 0.69021(10) 0.0290(4) Uani 1 1 d . . . . .
H29 H -0.450662 0.917675 0.729330 0.035 Uiso 1 1 calc R U . . .
C30 C -0.1723(3) 0.84258(19) 0.70207(10) 0.0266(4) Uani 1 1 d . . . . .
C31 C -0.0951(3) 0.8256(2) 0.77479(10) 0.0292(4) Uani 1 1 d . . . . .
C32 C 0.0867(4) 0.9091(3) 0.76541(12) 0.0474(6) Uani 1 1 d . . . . .
H32A H 0.196757 0.875809 0.734640 0.071 Uiso 1 1 calc R U . . .
H32B H 0.129111 0.905222 0.812329 0.071 Uiso 1 1 calc R U . . .
H32C H 0.050657 0.999800 0.743269 0.071 Uiso 1 1 calc R U . . .
C33 C -0.0391(4) 0.6830(2) 0.80723(12) 0.0449(5) Uani 1 1 d . . . . .
H33A H 0.062278 0.648943 0.773733 0.067 Uiso 1 1 calc R U . . .
H33B H -0.158563 0.631398 0.816370 0.067 Uiso 1 1 calc R U . . .
H33C H 0.015056 0.677322 0.852360 0.067 Uiso 1 1 calc R U . . .
C34 C -0.2561(4) 0.8717(3) 0.82900(12) 0.0527(7) Uani 1 1 d . . . . .
H34A H -0.293634 0.963928 0.810914 0.079 Uiso 1 1 calc R U . . .
H34B H -0.203315 0.861285 0.874785 0.079 Uiso 1 1 calc R U . . .
H34C H -0.374304 0.819505 0.835960 0.079 Uiso 1 1 calc R U . . .
C1 C 0.5532(3) 0.65655(17) 0.47957(9) 0.0252(4) Uani 1 1 d . . . . .
H1 H 0.588948 0.619779 0.526062 0.030 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
O2 C7 1.194(2) . ?
O3 C10 1.369(2) . ?
O3 C11 1.378(2) . ?
O4 C10 1.197(2) . ?
O5 C21 1.368(2) . ?
O5 C5 1.379(2) . ?
O6 C21 1.201(2) . ?
O7 C24 1.368(2) . ?
O7 C25 1.374(2) . ?
O8 C24 1.197(2) . ?
O1 C7 1.364(2) . ?
O1 C2 1.378(2) . ?
C2 C1 1.381(2) . ?
C2 C3 1.402(2) . ?
C3 C4 1.401(3) . ?
C3 C9 1.456(2) . ?
C4 C5 1.378(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.401(2) . ?
C6 C1 1.404(3) . ?
C6 C23 1.449(2) . ?
C7 C8 1.488(2) . ?
C8 C9 1.376(3) . ?
C8 C12 1.457(3) . ?
C9 C10 1.481(2) . ?
C11 C12 1.403(3) . ?
C11 C16 1.408(3) . ?
C12 C13 1.403(3) . ?
C13 C14 1.377(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.393(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.394(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.541(3) . ?
C17 C19 1.528(5) . ?
C17 C20 1.532(5) . ?
C17 C18 1.542(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.485(2) . ?
C22 C23 1.379(2) . ?
C22 C26 1.455(2) . ?
C23 C24 1.478(2) . ?
C25 C26 1.402(2) . ?
C25 C30 1.410(2) . ?
C26 C27 1.410(3) . ?
C27 C28 1.382(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.392(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.393(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.535(3) . ?
C31 C33 1.530(3) . ?
C31 C32 1.530(3) . ?
C31 C34 1.532(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C1 H1 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
C10 O3 C11 124.84(15) . . ?
C21 O5 C5 123.31(15) . . ?
C24 O7 C25 123.65(15) . . ?
C7 O1 C2 123.06(15) . . ?
O1 C2 C1 114.93(16) . . ?
O1 C2 C3 120.85(16) . . ?
C1 C2 C3 124.21(17) . . ?
C4 C3 C2 116.64(16) . . ?
C4 C3 C9 125.94(16) . . ?
C2 C3 C9 117.41(17) . . ?
C5 C4 C3 119.08(16) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 O5 114.85(16) . . ?
C4 C5 C6 124.36(17) . . ?
O5 C5 C6 120.79(16) . . ?
C5 C6 C1 116.58(16) . . ?
C5 C6 C23 117.67(16) . . ?
C1 C6 C23 125.74(17) . . ?
O2 C7 O1 116.65(16) . . ?
O2 C7 C8 126.05(17) . . ?
O1 C7 C8 117.30(16) . . ?
C9 C8 C12 122.06(17) . . ?
C9 C8 C7 118.65(17) . . ?
C12 C8 C7 119.28(16) . . ?
C8 C9 C3 121.18(17) . . ?
C8 C9 C10 119.13(17) . . ?
C3 C9 C10 119.64(16) . . ?
O4 C10 O3 116.72(16) . . ?
O4 C10 C9 126.72(18) . . ?
O3 C10 C9 116.54(16) . . ?
O3 C11 C12 120.37(17) . . ?
O3 C11 C16 115.98(17) . . ?
C12 C11 C16 123.64(18) . . ?
C13 C12 C11 117.75(17) . . ?
C13 C12 C8 125.29(17) . . ?
C11 C12 C8 116.96(17) . . ?
C14 C13 C12 119.87(19) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C15 121.1(2) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C14 C15 C16 121.77(19) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C15 C16 C11 115.88(18) . . ?
C15 C16 C17 121.93(18) . . ?
C11 C16 C17 122.16(18) . . ?
C19 C17 C20 110.6(3) . . ?
C19 C17 C16 109.5(2) . . ?
C20 C17 C16 111.1(2) . . ?
C19 C17 C18 107.6(3) . . ?
C20 C17 C18 107.1(3) . . ?
C16 C17 C18 110.8(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O6 C21 O5 116.19(16) . . ?
O6 C21 C22 126.04(17) . . ?
O5 C21 C22 117.77(15) . . ?
C23 C22 C26 121.20(17) . . ?
C23 C22 C21 118.64(16) . . ?
C26 C22 C21 120.15(16) . . ?
C22 C23 C6 121.58(16) . . ?
C22 C23 C24 118.51(16) . . ?
C6 C23 C24 119.90(16) . . ?
O8 C24 O7 117.10(16) . . ?
O8 C24 C23 126.42(17) . . ?
O7 C24 C23 116.48(15) . . ?
O7 C25 C26 120.08(16) . . ?
O7 C25 C30 115.53(15) . . ?
C26 C25 C30 124.39(16) . . ?
C25 C26 C27 117.47(17) . . ?
C25 C26 C22 117.40(16) . . ?
C27 C26 C22 125.11(17) . . ?
C28 C27 C26 119.56(18) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 120.87(18) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C28 C29 C30 122.59(18) . . ?
C28 C29 H29 118.7 . . ?
C30 C29 H29 118.7 . . ?
C29 C30 C25 114.88(17) . . ?
C29 C30 C31 121.90(17) . . ?
C25 C30 C31 123.16(16) . . ?
C33 C31 C32 109.99(19) . . ?
C33 C31 C34 106.74(18) . . ?
C32 C31 C34 107.9(2) . . ?
C33 C31 C30 112.29(18) . . ?
C32 C31 C30 109.03(16) . . ?
C34 C31 C30 110.74(17) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C2 C1 C6 118.96(16) . . ?
C2 C1 H1 120.5 . . ?
C6 C1 H1 120.5 . . ?

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
C7 O1 C2 C1 174.30(17) . . . . ?
C7 O1 C2 C3 -6.3(3) . . . . ?
O1 C2 C3 C4 176.43(16) . . . . ?
C1 C2 C3 C4 -4.2(3) . . . . ?
O1 C2 C3 C9 -4.6(3) . . . . ?
C1 C2 C3 C9 174.77(18) . . . . ?
C2 C3 C4 C5 2.1(3) . . . . ?
C9 C3 C4 C5 -176.78(18) . . . . ?
C3 C4 C5 O5 -179.09(16) . . . . ?
C3 C4 C5 C6 1.6(3) . . . . ?
C21 O5 C5 C4 -173.02(17) . . . . ?
C21 O5 C5 C6 6.3(3) . . . . ?
C4 C5 C6 C1 -3.3(3) . . . . ?
O5 C5 C6 C1 177.44(16) . . . . ?
C4 C5 C6 C23 175.08(18) . . . . ?
O5 C5 C6 C23 -4.2(3) . . . . ?
C2 O1 C7 O2 -166.82(19) . . . . ?
C2 O1 C7 C8 13.9(3) . . . . ?
O2 C7 C8 C9 170.0(2) . . . . ?
O1 C7 C8 C9 -10.9(3) . . . . ?
O2 C7 C8 C12 -9.3(3) . . . . ?
O1 C7 C8 C12 169.86(17) . . . . ?
C12 C8 C9 C3 179.83(17) . . . . ?
C7 C8 C9 C3 0.6(3) . . . . ?
C12 C8 C9 C10 -2.6(3) . . . . ?
C7 C8 C9 C10 178.19(17) . . . . ?
C4 C3 C9 C8 -174.05(18) . . . . ?
C2 C3 C9 C8 7.1(3) . . . . ?
C4 C3 C9 C10 8.4(3) . . . . ?
C2 C3 C9 C10 -170.49(17) . . . . ?
C11 O3 C10 O4 177.08(19) . . . . ?
C11 O3 C10 C9 -1.8(3) . . . . ?
C8 C9 C10 O4 -175.3(2) . . . . ?
C3 C9 C10 O4 2.3(3) . . . . ?
C8 C9 C10 O3 3.4(3) . . . . ?
C3 C9 C10 O3 -178.94(17) . . . . ?
C10 O3 C11 C12 -0.8(3) . . . . ?
C10 O3 C11 C16 179.27(19) . . . . ?
O3 C11 C12 C13 -178.29(19) . . . . ?
C16 C11 C12 C13 1.6(3) . . . . ?
O3 C11 C12 C8 1.8(3) . . . . ?
C16 C11 C12 C8 -178.3(2) . . . . ?
C9 C8 C12 C13 -179.95(19) . . . . ?
C7 C8 C12 C13 -0.7(3) . . . . ?
C9 C8 C12 C11 0.0(3) . . . . ?
C7 C8 C12 C11 179.20(17) . . . . ?
C11 C12 C13 C14 -1.1(3) . . . . ?
C8 C12 C13 C14 178.8(2) . . . . ?
C12 C13 C14 C15 0.3(4) . . . . ?
C13 C14 C15 C16 0.0(4) . . . . ?
C14 C15 C16 C11 0.4(4) . . . . ?
C14 C15 C16 C17 178.3(3) . . . . ?
O3 C11 C16 C15 178.6(2) . . . . ?
C12 C11 C16 C15 -1.2(3) . . . . ?
O3 C11 C16 C17 0.7(3) . . . . ?
C12 C11 C16 C17 -179.1(2) . . . . ?
C15 C16 C17 C19 -112.7(3) . . . . ?
C11 C16 C17 C19 65.1(3) . . . . ?
C15 C16 C17 C20 124.9(3) . . . . ?
C11 C16 C17 C20 -57.3(3) . . . . ?
C15 C16 C17 C18 5.9(4) . . . . ?
C11 C16 C17 C18 -176.3(3) . . . . ?
C5 O5 C21 O6 176.27(17) . . . . ?
C5 O5 C21 C22 -4.4(3) . . . . ?
O6 C21 C22 C23 179.94(19) . . . . ?
O5 C21 C22 C23 0.7(3) . . . . ?
O6 C21 C22 C26 -1.0(3) . . . . ?
O5 C21 C22 C26 179.73(16) . . . . ?
C26 C22 C23 C6 -177.94(17) . . . . ?
C21 C22 C23 C6 1.1(3) . . . . ?
C26 C22 C23 C24 2.6(3) . . . . ?
C21 C22 C23 C24 -178.42(16) . . . . ?
C5 C6 C23 C22 0.6(3) . . . . ?
C1 C6 C23 C22 178.81(18) . . . . ?
C5 C6 C23 C24 -179.90(17) . . . . ?
C1 C6 C23 C24 -1.7(3) . . . . ?
C25 O7 C24 O8 -161.93(18) . . . . ?
C25 O7 C24 C23 18.2(3) . . . . ?
C22 C23 C24 O8 164.75(19) . . . . ?
C6 C23 C24 O8 -14.7(3) . . . . ?
C22 C23 C24 O7 -15.4(3) . . . . ?
C6 C23 C24 O7 165.12(17) . . . . ?
C24 O7 C25 C26 -7.3(3) . . . . ?
C24 O7 C25 C30 172.86(17) . . . . ?
O7 C25 C26 C27 175.10(16) . . . . ?
C30 C25 C26 C27 -5.1(3) . . . . ?
O7 C25 C26 C22 -6.4(3) . . . . ?
C30 C25 C26 C22 173.36(17) . . . . ?
C23 C22 C26 C25 8.4(3) . . . . ?
C21 C22 C26 C25 -170.64(17) . . . . ?
C23 C22 C26 C27 -173.31(18) . . . . ?
C21 C22 C26 C27 7.7(3) . . . . ?
C25 C26 C27 C28 1.1(3) . . . . ?
C22 C26 C27 C28 -177.25(19) . . . . ?
C26 C27 C28 C29 2.1(3) . . . . ?
C27 C28 C29 C30 -1.6(3) . . . . ?
C28 C29 C30 C25 -2.1(3) . . . . ?
C28 C29 C30 C31 175.37(19) . . . . ?
O7 C25 C30 C29 -174.68(16) . . . . ?
C26 C25 C30 C29 5.5(3) . . . . ?
O7 C25 C30 C31 7.9(3) . . . . ?
C26 C25 C30 C31 -171.90(18) . . . . ?
C29 C30 C31 C33 120.8(2) . . . . ?
C25 C30 C31 C33 -61.9(3) . . . . ?
C29 C30 C31 C32 -117.0(2) . . . . ?
C25 C30 C31 C32 60.2(3) . . . . ?
C29 C30 C31 C34 1.6(3) . . . . ?
C25 C30 C31 C34 178.8(2) . . . . ?
O1 C2 C1 C6 -178.06(16) . . . . ?
C3 C2 C1 C6 2.5(3) . . . . ?
C5 C6 C1 C2 1.2(3) . . . . ?
C23 C6 C1 C2 -177.00(18) . . . . ?

_refine_diff_density_max         0.189
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.053


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane/Hexanes'
