# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_mo200820b
_database_code_depnum_ccdc_archive 'CCDC 2024499'
loop_
_audit_author_name
_audit_author_address
'Gu Xing-wei'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2020-08-21 deposited with the CCDC.	2021-09-20 downloaded from the CCDC.
;
_audit_creation_date             2020-08-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H22 O3'
_chemical_formula_sum            'C28 H22 O3'
_chemical_formula_weight         406.45
_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                   7.29900(10)
_cell_length_b                   10.99710(10)
_cell_length_c                   28.3111(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2272.47(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9890
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      70.984
_cell_measurement_theta_min      4.020
_shelx_estimated_absorpt_T_max   0.888
_shelx_estimated_absorpt_T_min   0.863
_exptl_absorpt_coefficient_mu    0.606
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1457 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.5290.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.188
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            19670
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.080
_diffrn_reflns_theta_min         5.093
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_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_source_current           0.64
_diffrn_source_power             0.028608
_diffrn_source_voltage           44.7
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.731
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.979
_reflns_number_gt                4229
_reflns_number_total             4309
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.159
_refine_diff_density_min         -0.160
_refine_diff_density_rms         0.038
_refine_ls_abs_structure_details 
;
 Flack x determined using 1739 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.11(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         4309
_refine_ls_number_restraints     261
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0396
_refine_ls_restrained_S_all      1.085
_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)+(0.0715P)²+0.1724P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1107
_refine_ls_wR_factor_ref         0.1113
_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. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
3.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C16(H16), C12(H12), C13(H13), C14(H14), C15(H15), C18(H18),
 C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27),
  C28(H28)
3.c Fitted hexagon refined as free rotating group:
 C16(C11,C12,C13,C14,C15), C23(C24,C25,C26,C27,C28)
3.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C)
;
_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 0.6119(2) 0.73325(16) 0.28363(5) 0.0612(4) Uani 1 1 d . U . . .
O2 O 0.54940(19) 0.80085(12) 0.44852(4) 0.0462(3) Uani 1 1 d . U . . .
O3 O 0.5912(3) 0.76378(16) 0.52510(5) 0.0668(4) Uani 1 1 d . U . . .
C1 C 0.5266(2) 0.73240(16) 0.40550(5) 0.0395(4) Uani 1 1 d . U . . .
C2 C 0.5376(3) 0.60045(16) 0.42182(6) 0.0428(4) Uani 1 1 d . U . . .
C3 C 0.5656(3) 0.59872(18) 0.46843(6) 0.0472(4) Uani 1 1 d . U . . .
C4 C 0.5725(3) 0.72450(19) 0.48576(6) 0.0468(4) Uani 1 1 d . U . . .
C5 C 0.6691(2) 0.77175(16) 0.36715(6) 0.0383(3) Uani 1 1 d . U . . .
C6 C 0.5545(3) 0.75653(16) 0.32241(6) 0.0426(4) Uani 1 1 d . U . . .
C7 C 0.3608(2) 0.7735(2) 0.33629(7) 0.0505(4) Uani 1 1 d . U . . .
H7 H 0.2646 0.7893 0.3157 0.061 Uiso 1 1 calc R U . . .
C8 C 0.3460(2) 0.7627(2) 0.38248(7) 0.0489(4) Uani 1 1 d . U . . .
H8 H 0.2368 0.7725 0.3990 0.059 Uiso 1 1 calc R U . . .
C9 C 0.8475(2) 0.70116(19) 0.36612(8) 0.0506(4) Uani 1 1 d . U . . .
H9A H 0.8228 0.6176 0.3586 0.076 Uiso 1 1 calc R U . . .
H9B H 0.9054 0.7059 0.3965 0.076 Uiso 1 1 calc R U . . .
H9C H 0.9271 0.7353 0.3426 0.076 Uiso 1 1 calc R U . . .
C10 C 0.7059(3) 0.91087(18) 0.37436(7) 0.0509(4) Uani 1 1 d . U . . .
H10A H 0.5888 0.9521 0.3767 0.061 Uiso 1 1 calc R U . . .
H10B H 0.7684 0.9216 0.4043 0.061 Uiso 1 1 calc R U . . .
C16 C 0.7381(2) 1.00768(17) 0.29414(6) 0.0821(8) Uani 1 1 d G U . . .
H16 H 0.6152 0.9913 0.2882 0.098 Uiso 1 1 calc R U . . .
C11 C 0.81687(18) 0.97216(13) 0.33666(5) 0.0486(4) Uani 1 1 d G U . . .
C12 C 1.0005(2) 0.99660(17) 0.34548(7) 0.0742(7) Uani 1 1 d G U . . .
H12 H 1.0532 0.9728 0.3739 0.089 Uiso 1 1 calc R U . . .
C13 C 1.1055(2) 1.0566(2) 0.31178(10) 0.1110(13) Uani 1 1 d G U . . .
H13 H 1.2284 1.0729 0.3177 0.133 Uiso 1 1 calc R U . . .
C14 C 1.0268(4) 1.0921(2) 0.26926(8) 0.1250(16) Uani 1 1 d G U . . .
H14 H 1.0970 1.1322 0.2467 0.150 Uiso 1 1 calc R U . . .
C15 C 0.8431(4) 1.0676(2) 0.26044(6) 0.1227(16) Uani 1 1 d G U . . .
H15 H 0.7904 1.0914 0.2320 0.147 Uiso 1 1 calc R U . . .
C17 C 0.5244(3) 0.49396(18) 0.38989(6) 0.0517(5) Uani 1 1 d . U . . .
C18 C 0.3711(4) 0.4723(2) 0.36187(9) 0.0720(7) Uani 1 1 d . U . . .
H18 H 0.2712 0.5246 0.3633 0.086 Uiso 1 1 calc R U . . .
C19 C 0.3677(6) 0.3723(3) 0.33176(10) 0.0948(11) Uani 1 1 d . U . . .
H19 H 0.2651 0.3585 0.3130 0.114 Uiso 1 1 calc R U . . .
C20 C 0.5125(6) 0.2943(3) 0.32930(10) 0.0968(11) Uani 1 1 d . U . . .
H20 H 0.5102 0.2288 0.3085 0.116 Uiso 1 1 calc R U . . .
C21 C 0.6602(6) 0.3134(3) 0.35760(12) 0.0915(9) Uani 1 1 d . U . . .
H21 H 0.7578 0.2591 0.3566 0.110 Uiso 1 1 calc R U . . .
C22 C 0.6682(5) 0.4120(2) 0.38783(9) 0.0690(6) Uani 1 1 d . U . . .
H22 H 0.7707 0.4233 0.4069 0.083 Uiso 1 1 calc R U . . .
C23 C 0.5807(2) 0.49372(13) 0.50084(5) 0.0580(5) Uani 1 1 d G U . . .
C24 C 0.4334(2) 0.41462(19) 0.50575(6) 0.0925(10) Uani 1 1 d G U . . .
H24 H 0.3259 0.4283 0.4889 0.111 Uiso 1 1 calc R U . . .
C25 C 0.4467(4) 0.31503(19) 0.53579(8) 0.1181(15) Uani 1 1 d G U . . .
H25 H 0.3482 0.2621 0.5391 0.142 Uiso 1 1 calc R U . . .
C26 C 0.6074(4) 0.29453(16) 0.56091(7) 0.1093(13) Uani 1 1 d G U . . .
H26 H 0.6163 0.2279 0.5810 0.131 Uiso 1 1 calc R U . . .
C27 C 0.7547(3) 0.37362(18) 0.55600(7) 0.0991(11) Uani 1 1 d G U . . .
H27 H 0.8622 0.3599 0.5728 0.119 Uiso 1 1 calc R U . . .
C28 C 0.7414(2) 0.47322(16) 0.52596(6) 0.0741(7) Uani 1 1 d G U . . .
H28 H 0.8399 0.5261 0.5227 0.089 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 C6 1.202(2) . ?
O2 C1 1.4415(19) . ?
O2 C4 1.358(2) . ?
O3 C4 1.202(2) . ?
C1 C2 1.525(2) . ?
C1 C5 1.565(2) . ?
C1 C8 1.508(2) . ?
C2 C3 1.336(2) . ?
C2 C17 1.482(3) . ?
C3 C4 1.468(3) . ?
C3 C23 1.479(2) . ?
C5 C6 1.527(2) . ?
C5 C9 1.516(2) . ?
C5 C10 1.567(2) . ?
C6 C7 1.480(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.317(3) . ?
C8 H8 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.500(2) . ?
C16 H16 0.9300 . ?
C16 C11 1.3900 . ?
C16 C15 1.3900 . ?
C11 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C13 1.3900 . ?
C13 H13 0.9300 . ?
C13 C14 1.3900 . ?
C14 H14 0.9300 . ?
C14 C15 1.3900 . ?
C15 H15 0.9300 . ?
C17 C18 1.392(3) . ?
C17 C22 1.385(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.392(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.363(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.360(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.383(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C24 H24 0.9300 . ?
C24 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C26 1.3900 . ?
C26 H26 0.9300 . ?
C26 C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C28 1.3900 . ?
C28 H28 0.9300 . ?

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
C4 O2 C1 110.32(14) . . ?
O2 C1 C2 103.59(13) . . ?
O2 C1 C5 111.42(13) . . ?
O2 C1 C8 110.55(14) . . ?
C2 C1 C5 116.01(14) . . ?
C8 C1 C2 112.76(15) . . ?
C8 C1 C5 102.72(13) . . ?
C3 C2 C1 108.71(15) . . ?
C3 C2 C17 126.96(17) . . ?
C17 C2 C1 124.31(14) . . ?
C2 C3 C4 108.79(16) . . ?
C2 C3 C23 129.45(17) . . ?
C4 C3 C23 121.71(15) . . ?
O2 C4 C3 108.59(14) . . ?
O3 C4 O2 120.72(18) . . ?
O3 C4 C3 130.68(18) . . ?
C1 C5 C10 107.08(14) . . ?
C6 C5 C1 100.45(13) . . ?
C6 C5 C10 108.01(14) . . ?
C9 C5 C1 116.27(14) . . ?
C9 C5 C6 113.46(15) . . ?
C9 C5 C10 110.80(15) . . ?
O1 C6 C5 126.16(17) . . ?
O1 C6 C7 127.01(17) . . ?
C7 C6 C5 106.82(13) . . ?
C6 C7 H7 125.3 . . ?
C8 C7 C6 109.31(15) . . ?
C8 C7 H7 125.3 . . ?
C1 C8 H8 123.9 . . ?
C7 C8 C1 112.17(15) . . ?
C7 C8 H8 123.9 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 108.3 . . ?
C5 C10 H10B 108.3 . . ?
H10A C10 H10B 107.4 . . ?
C11 C10 C5 116.02(15) . . ?
C11 C10 H10A 108.3 . . ?
C11 C10 H10B 108.3 . . ?
C11 C16 H16 120.0 . . ?
C11 C16 C15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C11 C10 121.30(13) . . ?
C12 C11 C10 118.67(13) . . ?
C12 C11 C16 120.0 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C18 C17 C2 122.3(2) . . ?
C22 C17 C2 119.37(19) . . ?
C22 C17 C18 118.3(2) . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 119.9(3) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 121.0(3) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.2(3) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.3(3) . . ?
C22 C21 H21 119.4 . . ?
C17 C22 H22 119.9 . . ?
C21 C22 C17 120.3(3) . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C3 119.54(13) . . ?
C24 C23 C28 120.0 . . ?
C28 C23 C3 120.46(13) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C23 C28 H28 120.0 . . ?
C27 C28 C23 120.0 . . ?
C27 C28 H28 120.0 . . ?

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 C6 C7 C8 161.9(2) . . . . ?
O2 C1 C2 C3 -0.72(19) . . . . ?
O2 C1 C2 C17 -179.01(17) . . . . ?
O2 C1 C5 C6 -145.58(14) . . . . ?
O2 C1 C5 C9 91.57(18) . . . . ?
O2 C1 C5 C10 -32.90(19) . . . . ?
O2 C1 C8 C7 138.50(19) . . . . ?
C1 O2 C4 O3 -178.89(18) . . . . ?
C1 O2 C4 C3 -0.05(19) . . . . ?
C1 C2 C3 C4 0.7(2) . . . . ?
C1 C2 C3 C23 178.07(18) . . . . ?
C1 C2 C17 C18 -59.6(3) . . . . ?
C1 C2 C17 C22 120.9(2) . . . . ?
C1 C5 C6 O1 -151.7(2) . . . . ?
C1 C5 C6 C7 27.20(18) . . . . ?
C1 C5 C10 C11 -170.94(15) . . . . ?
C2 C1 C5 C6 96.25(16) . . . . ?
C2 C1 C5 C9 -26.6(2) . . . . ?
C2 C1 C5 C10 -151.08(15) . . . . ?
C2 C1 C8 C7 -106.1(2) . . . . ?
C2 C3 C4 O2 -0.4(2) . . . . ?
C2 C3 C4 O3 178.3(2) . . . . ?
C2 C3 C23 C24 -61.2(3) . . . . ?
C2 C3 C23 C28 118.3(2) . . . . ?
C2 C17 C18 C19 178.6(2) . . . . ?
C2 C17 C22 C21 -178.7(2) . . . . ?
C3 C2 C17 C18 122.5(2) . . . . ?
C3 C2 C17 C22 -57.1(3) . . . . ?
C3 C23 C24 C25 179.41(17) . . . . ?
C3 C23 C28 C27 -179.40(17) . . . . ?
C4 O2 C1 C2 0.45(18) . . . . ?
C4 O2 C1 C5 -124.96(16) . . . . ?
C4 O2 C1 C8 121.49(16) . . . . ?
C4 C3 C23 C24 115.91(18) . . . . ?
C4 C3 C23 C28 -64.7(2) . . . . ?
C5 C1 C2 C3 121.68(17) . . . . ?
C5 C1 C2 C17 -56.6(2) . . . . ?
C5 C1 C8 C7 19.5(2) . . . . ?
C5 C6 C7 C8 -17.0(2) . . . . ?
C5 C10 C11 C16 79.7(2) . . . . ?
C5 C10 C11 C12 -102.25(18) . . . . ?
C6 C5 C10 C11 -63.5(2) . . . . ?
C6 C7 C8 C1 -2.1(3) . . . . ?
C8 C1 C2 C3 -120.27(17) . . . . ?
C8 C1 C2 C17 61.4(2) . . . . ?
C8 C1 C5 C6 -27.21(17) . . . . ?
C8 C1 C5 C9 -150.07(17) . . . . ?
C8 C1 C5 C10 85.47(17) . . . . ?
C9 C5 C6 O1 -26.9(3) . . . . ?
C9 C5 C6 C7 152.00(16) . . . . ?
C9 C5 C10 C11 61.3(2) . . . . ?
C10 C5 C6 O1 96.3(2) . . . . ?
C10 C5 C6 C7 -84.76(18) . . . . ?
C10 C11 C12 C13 -178.08(17) . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
C11 C16 C15 C14 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C15 C16 C11 C10 178.03(17) . . . . ?
C15 C16 C11 C12 0.0 . . . . ?
C17 C2 C3 C4 178.94(19) . . . . ?
C17 C2 C3 C23 -3.7(4) . . . . ?
C17 C18 C19 C20 0.2(5) . . . . ?
C18 C17 C22 C21 1.7(4) . . . . ?
C18 C19 C20 C21 1.5(5) . . . . ?
C19 C20 C21 C22 -1.7(5) . . . . ?
C20 C21 C22 C17 0.0(5) . . . . ?
C22 C17 C18 C19 -1.9(4) . . . . ?
C23 C3 C4 O2 -178.04(17) . . . . ?
C23 C3 C4 O3 0.6(3) . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C23 C28 C27 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C23 0.0 . . . . ?
C28 C23 C24 C25 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
