# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_pna21
_database_code_depnum_ccdc_archive 'CCDC 2155526'
loop_
_audit_author_name
_audit_author_address
'Angel Ugrinov'
;NDSU
United States of America
;
_audit_update_record             
;
2022-03-01 deposited with the CCDC.	2022-07-06 downloaded from the CCDC.
;
_audit_creation_date             2014-07-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.06.27 svn.r2953 for OlexSys, GUI svn.r4855)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C30 H26 O6'
_chemical_formula_sum            'C30 H26 O6'
_chemical_formula_weight         482.51
_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 0.0181 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           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                   14.6141(4)
_cell_length_b                   29.7385(10)
_cell_length_c                   5.6446(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2453.15(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2785
_cell_measurement_temperature    100
_cell_measurement_theta_max      66.20
_cell_measurement_theta_min      3.37
_shelx_estimated_absorpt_T_max   0.978
_shelx_estimated_absorpt_T_min   0.837
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.6714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0656 before and 0.0549 after correction.
The Ratio of minimum to maximum transmission is 0.8919.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            9222
_diffrn_reflns_point_group_measured_fraction_full 0.811
_diffrn_reflns_point_group_measured_fraction_max 0.832
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         66.515
_diffrn_reflns_theta_min         3.370
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.983
_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_standards_number         0
_reflns_Friedel_coverage         0.523
_reflns_Friedel_fraction_full    0.626
_reflns_Friedel_fraction_max     0.643
_reflns_number_gt                3236
_reflns_number_total             3599
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.194
_refine_diff_density_min         -0.147
_refine_diff_density_rms         0.038
_refine_ls_abs_structure_details 
;
 Flack x determined using 1019 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.08(18)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         3599
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0360
_refine_ls_restrained_S_all      1.062
_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)+(0.0391P)²+0.2355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0852
_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 Ternary CH refined with riding coordinates:
 C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C10(H10A,H10B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C12(H12), C13(H13), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C29(H29), C30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 1.03913(12) 0.40736(6) 0.8618(4) 0.0303(5) Uani 1 1 d . . . . .
O2 O 0.80101(11) 0.46461(6) 1.1777(4) 0.0277(5) Uani 1 1 d . . . . .
O3 O 0.86219(11) 0.38410(6) 1.0024(4) 0.0277(5) Uani 1 1 d . . . . .
O4 O 0.83202(13) 0.33758(7) 1.3078(4) 0.0337(5) Uani 1 1 d . . . . .
O5 O 0.77183(13) 0.50678(6) 1.5001(4) 0.0343(5) Uani 1 1 d . . . . .
O6 O 1.06587(12) 0.45876(6) 0.5775(4) 0.0316(5) Uani 1 1 d . . . . .
C1 C 1.36725(18) 0.30374(10) 0.0149(7) 0.0363(8) Uani 1 1 d . . . . .
H1 H 1.4087 0.2840 -0.0628 0.044 Uiso 1 1 calc R . . . .
C2 C 1.34760(18) 0.34510(10) -0.0825(6) 0.0340(7) Uani 1 1 d . . . . .
H2 H 1.3759 0.3540 -0.2265 0.041 Uiso 1 1 calc R . . . .
C3 C 1.28657(17) 0.37361(9) 0.0295(6) 0.0278(6) Uani 1 1 d . . . . .
H3 H 1.2728 0.4020 -0.0394 0.033 Uiso 1 1 calc R . . . .
C4 C 1.24474(16) 0.36123(8) 0.2433(5) 0.0245(6) Uani 1 1 d . . . . .
C5 C 1.18276(16) 0.39318(9) 0.3579(5) 0.0240(6) Uani 1 1 d . . . . .
H5 H 1.1738 0.4212 0.2803 0.029 Uiso 1 1 calc R . . . .
C6 C 1.13792(16) 0.38687(9) 0.5595(6) 0.0262(6) Uani 1 1 d . . . . .
H6 H 1.1442 0.3591 0.6408 0.031 Uiso 1 1 calc R . . . .
C7 C 1.07878(16) 0.42200(9) 0.6595(6) 0.0249(6) Uani 1 1 d . . . . .
C8 C 0.98017(18) 0.43855(9) 0.9812(6) 0.0311(7) Uani 1 1 d . . . . .
H8A H 0.9410 0.4545 0.8656 0.037 Uiso 1 1 calc R . . . .
H8B H 1.0168 0.4610 1.0692 0.037 Uiso 1 1 calc R . . . .
C9 C 0.92198(17) 0.41124(9) 1.1505(6) 0.0285(7) Uani 1 1 d . . . . .
H9 H 0.9625 0.3909 1.2451 0.034 Uiso 1 1 calc R . . . .
C10 C 0.86868(17) 0.44083(9) 1.3165(6) 0.0292(7) Uani 1 1 d . . . . .
H10A H 0.8384 0.4224 1.4396 0.035 Uiso 1 1 calc R . . . .
H10B H 0.9101 0.4625 1.3957 0.035 Uiso 1 1 calc R . . . .
C11 C 0.75619(17) 0.49697(8) 1.2958(6) 0.0268(6) Uani 1 1 d . . . . .
C12 C 0.68465(16) 0.51769(8) 1.1457(6) 0.0277(6) Uani 1 1 d . . . . .
H12 H 0.6928 0.5198 0.9791 0.033 Uiso 1 1 calc R . . . .
C13 C 0.60910(17) 0.53333(8) 1.2464(6) 0.0274(6) Uani 1 1 d . . . . .
H13 H 0.6050 0.5303 1.4136 0.033 Uiso 1 1 calc R . . . .
C14 C 0.53123(16) 0.55474(8) 1.1283(6) 0.0260(6) Uani 1 1 d . . . . .
C15 C 0.44549(17) 0.55435(9) 1.2397(6) 0.0288(7) Uani 1 1 d . . . . .
H15 H 0.4387 0.5399 1.3888 0.035 Uiso 1 1 calc R . . . .
C16 C 0.37107(18) 0.57463(9) 1.1359(6) 0.0326(7) Uani 1 1 d . . . . .
H16 H 0.3131 0.5737 1.2121 0.039 Uiso 1 1 calc R . . . .
C17 C 0.38041(19) 0.59623(9) 0.9219(6) 0.0347(8) Uani 1 1 d . . . . .
H17 H 0.3289 0.6103 0.8508 0.042 Uiso 1 1 calc R . . . .
C18 C 1.26564(17) 0.31903(8) 0.3399(6) 0.0273(7) Uani 1 1 d . . . . .
H18 H 1.2378 0.3098 0.4839 0.033 Uiso 1 1 calc R . . . .
C19 C 1.32678(18) 0.29087(9) 0.2258(6) 0.0329(7) Uani 1 1 d . . . . .
H19 H 1.3411 0.2624 0.2930 0.039 Uiso 1 1 calc R . . . .
C20 C 0.81981(17) 0.34856(9) 1.1035(6) 0.0265(7) Uani 1 1 d . . . . .
C21 C 0.75738(17) 0.32690(8) 0.9352(6) 0.0262(6) Uani 1 1 d . . . . .
H21 H 0.7574 0.3359 0.7737 0.031 Uiso 1 1 calc R . . . .
C22 C 0.70046(17) 0.29458(9) 1.0078(6) 0.0263(6) Uani 1 1 d . . . . .
H22 H 0.7048 0.2858 1.1692 0.032 Uiso 1 1 calc R . . . .
C23 C 0.63179(17) 0.27129(8) 0.8626(6) 0.0258(6) Uani 1 1 d . . . . .
C24 C 0.60113(18) 0.28846(10) 0.6477(6) 0.0323(7) Uani 1 1 d . . . . .
H24 H 0.6257 0.3159 0.5897 0.039 Uiso 1 1 calc R . . . .
C25 C 0.53531(19) 0.26600(11) 0.5175(6) 0.0369(7) Uani 1 1 d . . . . .
H25 H 0.5146 0.2783 0.3717 0.044 Uiso 1 1 calc R . . . .
C26 C 0.49945(18) 0.22580(10) 0.5980(6) 0.0344(8) Uani 1 1 d . . . . .
H26 H 0.4547 0.2103 0.5072 0.041 Uiso 1 1 calc R . . . .
C27 C 0.52897(17) 0.20832(9) 0.8110(7) 0.0333(7) Uani 1 1 d . . . . .
H27 H 0.5044 0.1807 0.8670 0.040 Uiso 1 1 calc R . . . .
C28 C 0.59454(17) 0.23092(9) 0.9443(6) 0.0300(7) Uani 1 1 d . . . . .
H28 H 0.6141 0.2188 1.0916 0.036 Uiso 1 1 calc R . . . .
C29 C 0.53965(18) 0.57686(9) 0.9111(6) 0.0292(7) Uani 1 1 d . . . . .
H29 H 0.5972 0.5776 0.8330 0.035 Uiso 1 1 calc R . . . .
C30 C 0.46497(19) 0.59767(9) 0.8090(6) 0.0326(7) Uani 1 1 d . . . . .
H30 H 0.4713 0.6129 0.6621 0.039 Uiso 1 1 calc R . . . .


_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 C7 1.353(4) . ?
O1 C8 1.434(3) . ?
O2 C10 1.447(3) . ?
O2 C11 1.341(3) . ?
O3 C9 1.454(3) . ?
O3 C20 1.351(3) . ?
O4 C20 1.212(4) . ?
O5 C11 1.212(4) . ?
O6 C7 1.202(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.377(5) . ?
C1 C19 1.383(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.383(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.402(4) . ?
C4 C5 1.463(4) . ?
C4 C18 1.402(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.326(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.469(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.515(4) . ?
C9 H9 1.0000 . ?
C9 C10 1.503(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.480(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.326(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.464(4) . ?
C14 C15 1.402(4) . ?
C14 C29 1.397(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.375(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.375(5) . ?
C17 H17 0.9500 . ?
C17 C30 1.391(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.384(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.466(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.336(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.469(4) . ?
C23 C24 1.390(5) . ?
C23 C28 1.396(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.383(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.382(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.379(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.391(4) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.381(4) . ?
C30 H30 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
C7 O1 C8 116.5(2) . . ?
C11 O2 C10 114.5(2) . . ?
C20 O3 C9 117.8(2) . . ?
C2 C1 H1 120.0 . . ?
C2 C1 C19 120.1(3) . . ?
C19 C1 H1 120.0 . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0(3) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.9(3) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C5 118.7(2) . . ?
C18 C4 C3 118.3(3) . . ?
C18 C4 C5 123.0(3) . . ?
C4 C5 H5 116.8 . . ?
C6 C5 C4 126.4(3) . . ?
C6 C5 H5 116.8 . . ?
C5 C6 H6 119.3 . . ?
C5 C6 C7 121.3(3) . . ?
C7 C6 H6 119.3 . . ?
O1 C7 C6 110.3(2) . . ?
O6 C7 O1 123.4(3) . . ?
O6 C7 C6 126.3(3) . . ?
O1 C8 H8A 110.4 . . ?
O1 C8 H8B 110.4 . . ?
O1 C8 C9 106.7(2) . . ?
H8A C8 H8B 108.6 . . ?
C9 C8 H8A 110.4 . . ?
C9 C8 H8B 110.4 . . ?
O3 C9 C8 105.8(3) . . ?
O3 C9 H9 109.1 . . ?
O3 C9 C10 111.85(19) . . ?
C8 C9 H9 109.1 . . ?
C10 C9 C8 111.7(2) . . ?
C10 C9 H9 109.1 . . ?
O2 C10 C9 107.6(3) . . ?
O2 C10 H10A 110.2 . . ?
O2 C10 H10B 110.2 . . ?
C9 C10 H10A 110.2 . . ?
C9 C10 H10B 110.2 . . ?
H10A C10 H10B 108.5 . . ?
O2 C11 C12 111.1(3) . . ?
O5 C11 O2 123.6(3) . . ?
O5 C11 C12 125.3(3) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 C11 119.3(3) . . ?
C13 C12 H12 120.4 . . ?
C12 C13 H13 116.4 . . ?
C12 C13 C14 127.2(3) . . ?
C14 C13 H13 116.4 . . ?
C15 C14 C13 119.1(3) . . ?
C29 C14 C13 122.4(3) . . ?
C29 C14 C15 118.4(3) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.8(3) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.1(3) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C30 120.3(3) . . ?
C30 C17 H17 119.8 . . ?
C4 C18 H18 120.0 . . ?
C19 C18 C4 120.1(3) . . ?
C19 C18 H18 120.0 . . ?
C1 C19 C18 120.6(3) . . ?
C1 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
O3 C20 C21 110.8(3) . . ?
O4 C20 O3 123.0(3) . . ?
O4 C20 C21 126.1(3) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 116.8 . . ?
C21 C22 C23 126.4(3) . . ?
C23 C22 H22 116.8 . . ?
C24 C23 C22 122.2(2) . . ?
C24 C23 C28 118.6(3) . . ?
C28 C23 C22 119.2(3) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 C23 120.7(3) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.4(3) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.6(3) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.3(3) . . ?
C28 C27 H27 119.8 . . ?
C23 C28 H28 119.8 . . ?
C27 C28 C23 120.4(3) . . ?
C27 C28 H28 119.8 . . ?
C14 C29 H29 119.7 . . ?
C30 C29 C14 120.5(3) . . ?
C30 C29 H29 119.7 . . ?
C17 C30 H30 120.1 . . ?
C29 C30 C17 119.8(3) . . ?
C29 C30 H30 120.1 . . ?

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 C8 C9 O3 -67.9(3) . . . . ?
O1 C8 C9 C10 170.1(2) . . . . ?
O2 C11 C12 C13 148.7(2) . . . . ?
O3 C9 C10 O2 -50.4(3) . . . . ?
O3 C20 C21 C22 -171.7(2) . . . . ?
O4 C20 C21 C22 6.9(4) . . . . ?
O5 C11 C12 C13 -29.8(4) . . . . ?
C1 C2 C3 C4 0.6(4) . . . . ?
C2 C1 C19 C18 0.6(4) . . . . ?
C2 C3 C4 C5 178.2(2) . . . . ?
C2 C3 C4 C18 -0.6(4) . . . . ?
C3 C4 C5 C6 -179.9(3) . . . . ?
C3 C4 C18 C19 0.5(4) . . . . ?
C4 C5 C6 C7 178.8(2) . . . . ?
C4 C18 C19 C1 -0.6(4) . . . . ?
C5 C4 C18 C19 -178.2(2) . . . . ?
C5 C6 C7 O1 178.6(2) . . . . ?
C5 C6 C7 O6 -1.2(4) . . . . ?
C7 O1 C8 C9 162.5(2) . . . . ?
C8 O1 C7 O6 -0.9(4) . . . . ?
C8 O1 C7 C6 179.2(2) . . . . ?
C8 C9 C10 O2 68.0(3) . . . . ?
C9 O3 C20 O4 -2.7(3) . . . . ?
C9 O3 C20 C21 175.92(19) . . . . ?
C10 O2 C11 O5 1.9(4) . . . . ?
C10 O2 C11 C12 -176.6(2) . . . . ?
C11 O2 C10 C9 -171.3(2) . . . . ?
C11 C12 C13 C14 -179.9(2) . . . . ?
C12 C13 C14 C15 156.7(3) . . . . ?
C12 C13 C14 C29 -25.3(4) . . . . ?
C13 C14 C15 C16 179.1(2) . . . . ?
C13 C14 C29 C30 -178.2(3) . . . . ?
C14 C15 C16 C17 -1.0(4) . . . . ?
C14 C29 C30 C17 -0.7(4) . . . . ?
C15 C14 C29 C30 -0.2(4) . . . . ?
C15 C16 C17 C30 0.1(4) . . . . ?
C16 C17 C30 C29 0.7(4) . . . . ?
C18 C4 C5 C6 -1.2(4) . . . . ?
C19 C1 C2 C3 -0.7(4) . . . . ?
C20 O3 C9 C8 163.4(2) . . . . ?
C20 O3 C9 C10 -74.7(3) . . . . ?
C20 C21 C22 C23 177.3(2) . . . . ?
C21 C22 C23 C24 -17.8(4) . . . . ?
C21 C22 C23 C28 163.4(3) . . . . ?
C22 C23 C24 C25 -178.9(3) . . . . ?
C22 C23 C28 C27 179.6(3) . . . . ?
C23 C24 C25 C26 -0.6(5) . . . . ?
C24 C23 C28 C27 0.7(4) . . . . ?
C24 C25 C26 C27 0.7(5) . . . . ?
C25 C26 C27 C28 -0.1(4) . . . . ?
C26 C27 C28 C23 -0.7(4) . . . . ?
C28 C23 C24 C25 -0.1(4) . . . . ?
C29 C14 C15 C16 1.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
