# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_210329d
_database_code_depnum_ccdc_archive 'CCDC 2104366'
loop_
_audit_author_name
_audit_author_address
'Bo Jiang'
;Jiangsu Normal University
China
;
_audit_update_record             
;
2021-08-19 deposited with the CCDC.	2021-11-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H26 O4'
_chemical_formula_weight         450.51

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7580(11)
_cell_length_b                   9.8298(12)
_cell_length_c                   13.6546(14)
_cell_angle_alpha                75.950(2)
_cell_angle_beta                 73.5690(10)
_cell_angle_gamma                84.404(3)
_cell_volume                     1218.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1612
_cell_measurement_theta_min      2.213
_cell_measurement_theta_max      25.026

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             476
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9723
_exptl_absorpt_correction_T_max  0.9872
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6087
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0828
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.14
_diffrn_reflns_theta_max         25.02
_reflns_number_total             4208
_reflns_number_gt                2490
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0800P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.071(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4208
_refine_ls_number_parameters     311
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.0612
_refine_ls_wR_factor_ref         0.1702
_refine_ls_wR_factor_gt          0.1448
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.60994(19) 0.0889(2) 0.26585(15) 0.0427(5) Uani 1 1 d . . .
O2 O 0.7479(2) 0.2592(2) 0.41959(16) 0.0511(6) Uani 1 1 d . . .
O3 O 0.6365(3) 0.4711(3) 0.3939(2) 0.0780(8) Uani 1 1 d . . .
O4 O 0.8941(3) 0.4474(2) 0.15769(19) 0.0655(7) Uani 1 1 d . . .
C1 C 0.7181(3) 0.1497(3) 0.2878(2) 0.0353(7) Uani 1 1 d . . .
C2 C 0.6623(3) 0.2057(3) 0.3715(2) 0.0386(7) Uani 1 1 d . . .
C3 C 0.5108(3) 0.1830(3) 0.4081(2) 0.0398(7) Uani 1 1 d . . .
C4 C 0.4860(3) 0.1091(3) 0.3408(2) 0.0406(7) Uani 1 1 d . . .
C5 C 0.3534(3) 0.0634(3) 0.3495(3) 0.0529(9) Uani 1 1 d . . .
H5 H 0.3397 0.0144 0.3029 0.063 Uiso 1 1 calc R . .
C6 C 0.2411(4) 0.0932(4) 0.4303(3) 0.0634(10) Uani 1 1 d . . .
H6 H 0.1503 0.0624 0.4393 0.076 Uiso 1 1 calc R . .
C7 C 0.2632(4) 0.1697(4) 0.4988(3) 0.0606(10) Uani 1 1 d . . .
H7 H 0.1860 0.1911 0.5514 0.073 Uiso 1 1 calc R . .
C8 C 0.3967(3) 0.2133(3) 0.4892(2) 0.0543(9) Uani 1 1 d . . .
H8 H 0.4109 0.2620 0.5358 0.065 Uiso 1 1 calc R . .
C9 C 0.8689(3) 0.1386(3) 0.2215(2) 0.0342(7) Uani 1 1 d . . .
H9 H 0.9262 0.1838 0.2524 0.041 Uiso 1 1 calc R . .
C10 C 0.9278(3) -0.0133(3) 0.2322(2) 0.0343(7) Uani 1 1 d . . .
C11 C 0.8572(3) -0.1211(3) 0.2194(2) 0.0411(7) Uani 1 1 d . . .
H11 H 0.7717 -0.1016 0.2006 0.049 Uiso 1 1 calc R . .
C12 C 0.9126(3) -0.2569(3) 0.2341(2) 0.0504(8) Uani 1 1 d . . .
H12 H 0.8624 -0.3285 0.2277 0.060 Uiso 1 1 calc R . .
C13 C 1.0419(4) -0.2873(4) 0.2584(3) 0.0571(10) Uani 1 1 d . . .
H13 H 1.0799 -0.3785 0.2669 0.068 Uiso 1 1 calc R . .
C14 C 1.1138(4) -0.1813(4) 0.2698(3) 0.0646(10) Uani 1 1 d . . .
H14 H 1.2007 -0.2012 0.2864 0.078 Uiso 1 1 calc R . .
C15 C 1.0579(3) -0.0449(3) 0.2567(2) 0.0505(9) Uani 1 1 d . . .
H15 H 1.1079 0.0260 0.2644 0.061 Uiso 1 1 calc R . .
C16 C 0.8503(3) 0.3800(3) 0.1096(2) 0.0462(8) Uani 1 1 d . . .
C17 C 0.8943(3) 0.2258(3) 0.1062(2) 0.0359(7) Uani 1 1 d . . .
C18 C 0.8035(3) 0.1881(3) 0.0419(2) 0.0406(7) Uani 1 1 d . . .
H18A H 0.8639 0.1540 -0.0175 0.049 Uiso 1 1 calc R . .
H18B H 0.7367 0.1161 0.0847 0.049 Uiso 1 1 calc R . .
C19 C 0.7239(3) 0.3229(3) 0.0049(2) 0.0397(7) Uani 1 1 d . . .
C20 C 0.7505(3) 0.4272(3) 0.0450(2) 0.0477(8) Uani 1 1 d . . .
H20 H 0.7106 0.5175 0.0330 0.057 Uiso 1 1 calc R . .
C21 C 1.0557(3) 0.2210(3) 0.0496(2) 0.0521(9) Uani 1 1 d . . .
H21A H 1.0729 0.2823 -0.0188 0.078 Uiso 1 1 calc R . .
H21B H 1.0852 0.1269 0.0430 0.078 Uiso 1 1 calc R . .
H21C H 1.1090 0.2509 0.0894 0.078 Uiso 1 1 calc R . .
C22 C 0.6337(3) 0.3283(3) -0.0668(2) 0.0436(8) Uani 1 1 d . . .
C23 C 0.6253(3) 0.4445(3) -0.1487(3) 0.0491(8) Uani 1 1 d . . .
C24 C 0.5433(3) 0.4341(4) -0.2151(3) 0.0605(10) Uani 1 1 d . . .
H24 H 0.5385 0.5098 -0.2703 0.073 Uiso 1 1 calc R . .
C25 C 0.4689(4) 0.3155(4) -0.2016(3) 0.0728(11) Uani 1 1 d . . .
H25 H 0.4158 0.3113 -0.2476 0.087 Uiso 1 1 calc R . .
C26 C 0.4739(4) 0.2037(4) -0.1195(3) 0.0794(13) Uani 1 1 d . . .
H26 H 0.4213 0.1246 -0.1080 0.095 Uiso 1 1 calc R . .
C27 C 0.5572(4) 0.2093(4) -0.0543(3) 0.0657(11) Uani 1 1 d . . .
H27 H 0.5628 0.1318 -0.0005 0.079 Uiso 1 1 calc R . .
C28 C 0.7030(4) 0.5787(4) -0.1709(3) 0.0694(11) Uani 1 1 d . . .
H28A H 0.7127 0.6276 -0.2424 0.104 Uiso 1 1 calc R . .
H28B H 0.7961 0.5570 -0.1593 0.104 Uiso 1 1 calc R . .
H28C H 0.6497 0.6369 -0.1250 0.104 Uiso 1 1 calc R . .
C29 C 0.7243(4) 0.3960(4) 0.4272(3) 0.0551(9) Uani 1 1 d . . .
C30 C 0.8236(5) 0.4342(4) 0.4808(3) 0.0849(13) Uani 1 1 d . . .
H30A H 0.8375 0.5335 0.4594 0.127 Uiso 1 1 calc R . .
H30B H 0.9139 0.3852 0.4622 0.127 Uiso 1 1 calc R . .
H30C H 0.7835 0.4085 0.5553 0.127 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 C4 1.379(3) . ?
O1 C1 1.397(3) . ?
O2 C29 1.365(4) . ?
O2 C2 1.403(3) . ?
O3 C29 1.192(4) . ?
O4 C16 1.217(4) . ?
C1 C2 1.343(4) . ?
C1 C9 1.503(4) . ?
C2 C3 1.441(4) . ?
C3 C4 1.384(4) . ?
C3 C8 1.398(4) . ?
C4 C5 1.375(4) . ?
C5 C6 1.383(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.404(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.373(4) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.535(4) . ?
C9 C17 1.563(4) . ?
C9 H9 0.9800 . ?
C10 C11 1.388(4) . ?
C10 C15 1.391(4) . ?
C11 C12 1.380(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.381(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.372(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.387(4) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C20 1.462(4) . ?
C16 C17 1.542(4) . ?
C17 C18 1.535(4) . ?
C17 C21 1.548(4) . ?
C18 C19 1.520(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.350(4) . ?
C19 C22 1.480(4) . ?
C20 H20 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C27 1.398(4) . ?
C22 C23 1.406(4) . ?
C23 C24 1.394(4) . ?
C23 C28 1.509(5) . ?
C24 C25 1.381(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.374(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.379(5) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.491(5) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?

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 O1 C1 106.1(2) . . ?
C29 O2 C2 117.7(2) . . ?
C2 C1 O1 109.4(2) . . ?
C2 C1 C9 131.9(3) . . ?
O1 C1 C9 118.7(2) . . ?
C1 C2 O2 122.2(3) . . ?
C1 C2 C3 109.2(3) . . ?
O2 C2 C3 128.1(3) . . ?
C4 C3 C8 119.1(3) . . ?
C4 C3 C2 104.0(3) . . ?
C8 C3 C2 136.8(3) . . ?
C5 C4 O1 125.7(3) . . ?
C5 C4 C3 123.1(3) . . ?
O1 C4 C3 111.2(2) . . ?
C4 C5 C6 117.5(3) . . ?
C4 C5 H5 121.3 . . ?
C6 C5 H5 121.3 . . ?
C5 C6 C7 120.5(3) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C8 C7 C6 121.1(3) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C3 118.7(3) . . ?
C7 C8 H8 120.7 . . ?
C3 C8 H8 120.7 . . ?
C1 C9 C10 112.8(2) . . ?
C1 C9 C17 113.9(2) . . ?
C10 C9 C17 114.6(2) . . ?
C1 C9 H9 104.7 . . ?
C10 C9 H9 104.7 . . ?
C17 C9 H9 104.7 . . ?
C11 C10 C15 118.3(3) . . ?
C11 C10 C9 123.4(2) . . ?
C15 C10 C9 118.3(3) . . ?
C12 C11 C10 120.7(3) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C13 120.5(3) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C12 119.3(3) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
C13 C14 C15 120.6(3) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C10 120.5(3) . . ?
C14 C15 H15 119.8 . . ?
C10 C15 H15 119.8 . . ?
O4 C16 C20 127.7(3) . . ?
O4 C16 C17 124.4(3) . . ?
C20 C16 C17 107.9(3) . . ?
C18 C17 C16 103.9(2) . . ?
C18 C17 C21 111.5(2) . . ?
C16 C17 C21 107.5(2) . . ?
C18 C17 C9 116.1(2) . . ?
C16 C17 C9 108.0(2) . . ?
C21 C17 C9 109.3(2) . . ?
C19 C18 C17 105.8(2) . . ?
C19 C18 H18A 110.6 . . ?
C17 C18 H18A 110.6 . . ?
C19 C18 H18B 110.6 . . ?
C17 C18 H18B 110.6 . . ?
H18A C18 H18B 108.7 . . ?
C20 C19 C22 128.4(3) . . ?
C20 C19 C18 110.8(3) . . ?
C22 C19 C18 120.7(3) . . ?
C19 C20 C16 111.3(3) . . ?
C19 C20 H20 124.3 . . ?
C16 C20 H20 124.3 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C22 C23 118.7(3) . . ?
C27 C22 C19 117.9(3) . . ?
C23 C22 C19 123.4(3) . . ?
C24 C23 C22 118.2(3) . . ?
C24 C23 C28 118.0(3) . . ?
C22 C23 C28 123.9(3) . . ?
C25 C24 C23 122.3(3) . . ?
C25 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C26 C25 C24 119.4(3) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C27 119.7(4) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C26 C27 C22 121.8(3) . . ?
C26 C27 H27 119.1 . . ?
C22 C27 H27 119.1 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O3 C29 O2 123.1(3) . . ?
O3 C29 C30 126.6(3) . . ?
O2 C29 C30 110.3(3) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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
C4 O1 C1 C2 -0.7(3) . . . . ?
C4 O1 C1 C9 177.3(2) . . . . ?
O1 C1 C2 O2 172.2(2) . . . . ?
C9 C1 C2 O2 -5.4(5) . . . . ?
O1 C1 C2 C3 -0.2(3) . . . . ?
C9 C1 C2 C3 -177.7(3) . . . . ?
C29 O2 C2 C1 122.8(3) . . . . ?
C29 O2 C2 C3 -66.4(4) . . . . ?
C1 C2 C3 C4 0.9(3) . . . . ?
O2 C2 C3 C4 -170.8(3) . . . . ?
C1 C2 C3 C8 179.2(3) . . . . ?
O2 C2 C3 C8 7.5(5) . . . . ?
C1 O1 C4 C5 -178.8(3) . . . . ?
C1 O1 C4 C3 1.3(3) . . . . ?
C8 C3 C4 C5 0.1(4) . . . . ?
C2 C3 C4 C5 178.8(3) . . . . ?
C8 C3 C4 O1 180.0(2) . . . . ?
C2 C3 C4 O1 -1.4(3) . . . . ?
O1 C4 C5 C6 179.8(3) . . . . ?
C3 C4 C5 C6 -0.4(5) . . . . ?
C4 C5 C6 C7 1.2(5) . . . . ?
C5 C6 C7 C8 -1.8(5) . . . . ?
C6 C7 C8 C3 1.5(5) . . . . ?
C4 C3 C8 C7 -0.6(4) . . . . ?
C2 C3 C8 C7 -178.8(3) . . . . ?
C2 C1 C9 C10 113.3(3) . . . . ?
O1 C1 C9 C10 -64.1(3) . . . . ?
C2 C1 C9 C17 -113.9(3) . . . . ?
O1 C1 C9 C17 68.7(3) . . . . ?
C1 C9 C10 C11 52.1(3) . . . . ?
C17 C9 C10 C11 -80.4(3) . . . . ?
C1 C9 C10 C15 -127.4(3) . . . . ?
C17 C9 C10 C15 100.1(3) . . . . ?
C15 C10 C11 C12 2.2(4) . . . . ?
C9 C10 C11 C12 -177.3(3) . . . . ?
C10 C11 C12 C13 -2.3(4) . . . . ?
C11 C12 C13 C14 1.3(5) . . . . ?
C12 C13 C14 C15 -0.3(5) . . . . ?
C13 C14 C15 C10 0.2(5) . . . . ?
C11 C10 C15 C14 -1.2(4) . . . . ?
C9 C10 C15 C14 178.4(3) . . . . ?
O4 C16 C17 C18 176.6(3) . . . . ?
C20 C16 C17 C18 -4.0(3) . . . . ?
O4 C16 C17 C21 -65.1(4) . . . . ?
C20 C16 C17 C21 114.3(3) . . . . ?
O4 C16 C17 C9 52.7(4) . . . . ?
C20 C16 C17 C9 -127.9(2) . . . . ?
C1 C9 C17 C18 -59.7(3) . . . . ?
C10 C9 C17 C18 72.3(3) . . . . ?
C1 C9 C17 C16 56.5(3) . . . . ?
C10 C9 C17 C16 -171.5(2) . . . . ?
C1 C9 C17 C21 173.3(2) . . . . ?
C10 C9 C17 C21 -54.8(3) . . . . ?
C16 C17 C18 C19 4.6(3) . . . . ?
C21 C17 C18 C19 -110.9(3) . . . . ?
C9 C17 C18 C19 123.1(2) . . . . ?
C17 C18 C19 C20 -3.9(3) . . . . ?
C17 C18 C19 C22 175.3(2) . . . . ?
C22 C19 C20 C16 -177.7(3) . . . . ?
C18 C19 C20 C16 1.3(4) . . . . ?
O4 C16 C20 C19 -178.8(3) . . . . ?
C17 C16 C20 C19 1.8(3) . . . . ?
C20 C19 C22 C27 -145.0(3) . . . . ?
C18 C19 C22 C27 36.0(4) . . . . ?
C20 C19 C22 C23 37.4(5) . . . . ?
C18 C19 C22 C23 -141.5(3) . . . . ?
C27 C22 C23 C24 -1.3(5) . . . . ?
C19 C22 C23 C24 176.2(3) . . . . ?
C27 C22 C23 C28 -179.7(3) . . . . ?
C19 C22 C23 C28 -2.2(5) . . . . ?
C22 C23 C24 C25 1.2(5) . . . . ?
C28 C23 C24 C25 179.7(3) . . . . ?
C23 C24 C25 C26 0.7(6) . . . . ?
C24 C25 C26 C27 -2.4(6) . . . . ?
C25 C26 C27 C22 2.3(6) . . . . ?
C23 C22 C27 C26 -0.4(5) . . . . ?
C19 C22 C27 C26 -178.1(3) . . . . ?
C2 O2 C29 O3 -1.0(5) . . . . ?
C2 O2 C29 C30 179.6(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.199
_refine_diff_density_rms         0.049
