# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_20_a
_database_code_depnum_ccdc_archive 'CCDC 2004145'
loop_
_audit_author_name
_audit_author_address
wang
;the CCDC
China
;
_audit_update_record             
;
2020-05-15 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H27 I O6'
_chemical_formula_weight         526.34

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'
I I -0.4742 1.8119 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.342
_cell_length_b                   9.691
_cell_length_c                   18.139
_cell_angle_alpha                90
_cell_angle_beta                 107.52
_cell_angle_gamma                90
_cell_volume                     2404.2
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3218
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      21.44

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_F_000             1064
_exptl_transmission_factor_min   0.5886
_exptl_transmission_factor_max   0.7461
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.365
_shelx_estimated_absorpt_T_min   0.685
_shelx_estimated_absorpt_T_max   0.772
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean 'fine-focus sealed tube'
_diffrn_reflns_number            11566
_diffrn_reflns_av_unetI/netI     0.0422
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.596
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             4169
_reflns_number_gt                2675
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+4.6239P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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         4169
_refine_ls_number_parameters     275
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0670
_refine_ls_wR_factor_ref         0.2140
_refine_ls_wR_factor_gt          0.1881
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.001
_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
I001 I 0.51319(5) 0.23690(8) 0.94625(4) 0.1239(4) Uani 1 1 d . . . . .
O002 O 0.6240(3) 0.5781(4) 0.7327(2) 0.0602(10) Uani 1 1 d . . . . .
O5 O 0.5968(3) 0.3438(4) 0.7121(2) 0.0649(10) Uani 1 1 d . . . . .
O2 O 0.5417(3) 0.7632(5) 0.7885(3) 0.0761(12) Uani 1 1 d . . . . .
O4 O 0.7419(3) 0.4773(5) 0.5588(2) 0.0747(12) Uani 1 1 d . . . . .
O3 O 0.4484(4) 0.9418(5) 0.5726(3) 0.0945(15) Uani 1 1 d . . . . .
H3 H 0.4475 0.9734 0.6144 0.142 Uiso 1 1 calc DR U . . .
C10 C 0.5922(4) 0.6392(5) 0.6619(3) 0.0507(12) Uani 1 1 d . . . . .
C9 C 0.6158(3) 0.5886(6) 0.5986(3) 0.0524(13) Uani 1 1 d . . . . .
C14 C 0.5856(4) 0.6585(6) 0.5282(3) 0.0580(14) Uani 1 1 d . . . . .
C3 C 0.6699(4) 0.4451(6) 0.7372(3) 0.0550(13) Uani 1 1 d . . . . .
C11 C 0.5366(4) 0.7622(6) 0.6563(3) 0.0583(14) Uani 1 1 d . . . . .
C7 C 0.7374(4) 0.4383(6) 0.6884(3) 0.0605(14) Uani 1 1 d . . . . .
H7A H 0.7690 0.3488 0.6940 0.073 Uiso 1 1 calc R U . . .
H7B H 0.7875 0.5087 0.7045 0.073 Uiso 1 1 calc R U . . .
O1 O 0.4696(5) 0.9362(6) 0.7165(3) 0.117(2) Uani 1 1 d D . . . .
C4 C 0.7122(4) 0.4203(6) 0.8240(3) 0.0596(14) Uani 1 1 d . . . . .
H4 H 0.7541 0.3385 0.8314 0.072 Uiso 1 1 calc R U . . .
C1 C 0.6199(4) 0.3814(7) 0.8450(3) 0.0630(14) Uani 1 1 d . . . . .
H1 H 0.5848 0.4653 0.8511 0.076 Uiso 1 1 calc R U . . .
C8 C 0.6770(4) 0.4614(6) 0.6045(3) 0.0582(13) Uani 1 1 d . . . . .
H8 H 0.6344 0.3816 0.5860 0.070 Uiso 1 1 calc R U . . .
C12 C 0.5290(5) 0.7757(7) 0.5209(4) 0.0709(17) Uani 1 1 d . . . . .
H12 H 0.5072 0.8205 0.4735 0.085 Uiso 1 1 calc R U . . .
C22 C 0.5125(4) 0.8263(7) 0.7227(4) 0.0672(15) Uani 1 1 d . . . . .
C13 C 0.5042(4) 0.8276(7) 0.5845(4) 0.0666(16) Uani 1 1 d . . . . .
C2 C 0.5606(5) 0.3032(8) 0.7731(4) 0.0709(16) Uani 1 1 d . . . . .
H2A H 0.5682 0.2044 0.7816 0.085 Uiso 1 1 calc R U . . .
H2B H 0.4918 0.3260 0.7610 0.085 Uiso 1 1 calc R U . . .
C15 C 0.6172(5) 0.6039(9) 0.4627(3) 0.081(2) Uani 1 1 d . . . . .
H15 H 0.5908 0.6374 0.4127 0.098 Uiso 1 1 calc R U . . .
C6 C 0.6426(5) 0.2960(8) 0.9185(4) 0.0815(19) Uani 1 1 d . . . . .
H6A H 0.6845 0.3489 0.9610 0.098 Uiso 1 1 calc R U . . .
H6B H 0.6780 0.2136 0.9122 0.098 Uiso 1 1 calc R U . . .
C5 C 0.7717(5) 0.5364(8) 0.8706(4) 0.082(2) Uani 1 1 d . . . . .
H5A H 0.8286 0.5517 0.8543 0.123 Uiso 1 1 calc R U . . .
H5B H 0.7914 0.5125 0.9244 0.123 Uiso 1 1 calc R U . . .
H5C H 0.7329 0.6190 0.8626 0.123 Uiso 1 1 calc R U . . .
C17 C 0.7368(6) 0.4455(10) 0.4275(4) 0.099(3) Uani 1 1 d . . . . .
H17 H 0.7963 0.3996 0.4459 0.119 Uiso 1 1 calc R U . . .
C23 C 0.5235(6) 0.8327(9) 0.8547(4) 0.095(2) Uani 1 1 d . . . . .
H23A H 0.5550 0.9212 0.8622 0.142 Uiso 1 1 calc R U . . .
H23B H 0.5492 0.7776 0.9003 0.142 Uiso 1 1 calc R U . . .
H23C H 0.4544 0.8448 0.8450 0.142 Uiso 1 1 calc R U . . .
C18 C 0.6900(6) 0.4645(11) 0.3421(4) 0.104(3) Uani 1 1 d . . . . .
H18A H 0.6270 0.4188 0.3286 0.125 Uiso 1 1 calc R U . . .
H18B H 0.6773 0.5623 0.3330 0.125 Uiso 1 1 calc R U . . .
C19 C 0.7391(7) 0.4180(13) 0.2884(5) 0.127(4) Uani 1 1 d . . . . .
H19 H 0.7976 0.3698 0.3063 0.152 Uiso 1 1 calc R U . . .
C16 C 0.6892(8) 0.4986(12) 0.4799(4) 0.126(3) Uani 1 1 d . U . . .
H16 H 0.6438 0.4213 0.4755 0.151 Uiso 1 1 calc R U . . .
C20 C 0.6982(8) 0.4457(15) 0.2067(5) 0.142(4) Uani 1 1 d . . . . .
H20 H 0.6428 0.5008 0.1891 0.171 Uiso 1 1 calc R U . . .
C21 C 0.7439(10) 0.3872(17) 0.1517(7) 0.176(6) Uani 1 1 d . . . . .
H21A H 0.8131 0.4033 0.1698 0.264 Uiso 1 1 calc R U . . .
H21B H 0.7169 0.4301 0.1022 0.264 Uiso 1 1 calc R U . . .
H21C H 0.7316 0.2897 0.1471 0.264 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
I001 C6 2.142(7) . ?
O002 C10 1.362(6) . ?
O002 C3 1.438(7) . ?
O5 C3 1.408(7) . ?
O5 C2 1.413(7) . ?
O2 C22 1.292(8) . ?
O2 C23 1.467(8) . ?
O4 C16 1.418(9) . ?
O4 C8 1.429(7) . ?
O3 C13 1.345(8) . ?
O3 H3 0.8200 . ?
C10 C9 1.382(7) . ?
C10 C11 1.420(8) . ?
C9 C14 1.393(7) . ?
C9 C8 1.498(8) . ?
C14 C12 1.379(9) . ?
C14 C15 1.491(9) . ?
C3 C7 1.497(8) . ?
C3 C4 1.526(7) . ?
C11 C13 1.397(8) . ?
C11 C22 1.485(9) . ?
C7 C8 1.524(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
O1 C22 1.218(8) . ?
C4 C5 1.507(9) . ?
C4 C1 1.532(8) . ?
C4 H4 0.9800 . ?
C1 C6 1.518(8) . ?
C1 C2 1.527(9) . ?
C1 H1 0.9800 . ?
C8 H8 0.9800 . ?
C12 C13 1.398(10) . ?
C12 H12 0.9300 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C15 C16 1.418(11) . ?
C15 H15 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C17 C16 1.423(11) . ?
C17 C18 1.503(10) . ?
C17 H17 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C18 C19 1.435(11) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.445(13) . ?
C19 H19 0.9300 . ?
C16 H16 0.9800 . ?
C20 C21 1.463(14) . ?
C20 H20 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 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
C10 O002 C3 117.4(4) . . ?
C3 O5 C2 110.6(4) . . ?
C22 O2 C23 116.8(6) . . ?
C16 O4 C8 111.0(6) . . ?
C13 O3 H3 109.5 . . ?
O002 C10 C9 122.2(5) . . ?
O002 C10 C11 117.0(5) . . ?
C9 C10 C11 120.7(5) . . ?
C10 C9 C14 120.1(5) . . ?
C10 C9 C8 121.1(5) . . ?
C14 C9 C8 118.7(5) . . ?
C12 C14 C9 120.0(6) . . ?
C12 C14 C15 121.8(5) . . ?
C9 C14 C15 118.2(6) . . ?
O5 C3 O002 108.9(4) . . ?
O5 C3 C7 109.1(5) . . ?
O002 C3 C7 111.8(5) . . ?
O5 C3 C4 104.6(4) . . ?
O002 C3 C4 103.5(4) . . ?
C7 C3 C4 118.4(5) . . ?
C13 C11 C10 118.0(6) . . ?
C13 C11 C22 118.3(5) . . ?
C10 C11 C22 123.8(5) . . ?
C3 C7 C8 108.1(4) . . ?
C3 C7 H7A 110.1 . . ?
C8 C7 H7A 110.1 . . ?
C3 C7 H7B 110.1 . . ?
C8 C7 H7B 110.1 . . ?
H7A C7 H7B 108.4 . . ?
C5 C4 C3 116.3(5) . . ?
C5 C4 C1 115.5(5) . . ?
C3 C4 C1 101.0(4) . . ?
C5 C4 H4 107.9 . . ?
C3 C4 H4 107.9 . . ?
C1 C4 H4 107.9 . . ?
C6 C1 C2 113.4(6) . . ?
C6 C1 C4 112.3(5) . . ?
C2 C1 C4 102.1(5) . . ?
C6 C1 H1 109.6 . . ?
C2 C1 H1 109.6 . . ?
C4 C1 H1 109.6 . . ?
O4 C8 C9 109.8(5) . . ?
O4 C8 C7 108.7(4) . . ?
C9 C8 C7 109.7(5) . . ?
O4 C8 H8 109.5 . . ?
C9 C8 H8 109.5 . . ?
C7 C8 H8 109.5 . . ?
C14 C12 C13 120.3(5) . . ?
C14 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
O1 C22 O2 120.9(6) . . ?
O1 C22 C11 121.6(6) . . ?
O2 C22 C11 117.4(6) . . ?
O3 C13 C11 122.5(6) . . ?
O3 C13 C12 116.8(6) . . ?
C11 C13 C12 120.7(6) . . ?
O5 C2 C1 106.9(5) . . ?
O5 C2 H2A 110.3 . . ?
C1 C2 H2A 110.3 . . ?
O5 C2 H2B 110.3 . . ?
C1 C2 H2B 110.3 . . ?
H2A C2 H2B 108.6 . . ?
C16 C15 C14 117.1(6) . . ?
C16 C15 H15 121.4 . . ?
C14 C15 H15 121.4 . . ?
C1 C6 I001 112.3(4) . . ?
C1 C6 H6A 109.1 . . ?
I001 C6 H6A 109.1 . . ?
C1 C6 H6B 109.1 . . ?
I001 C6 H6B 109.1 . . ?
H6A C6 H6B 107.9 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C16 C17 C18 119.3(8) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
O2 C23 H23A 109.5 . . ?
O2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C18 C17 120.2(8) . . ?
C19 C18 H18A 107.3 . . ?
C17 C18 H18A 107.3 . . ?
C19 C18 H18B 107.3 . . ?
C17 C18 H18B 107.3 . . ?
H18A C18 H18B 106.9 . . ?
C18 C19 C20 120.4(10) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C15 C16 O4 117.3(6) . . ?
C15 C16 C17 125.2(7) . . ?
O4 C16 C17 113.9(7) . . ?
C15 C16 H16 96.3 . . ?
O4 C16 H16 96.3 . . ?
C17 C16 H16 96.3 . . ?
C19 C20 C21 120.0(12) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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
C3 O002 C10 C9 -10.3(7) . . . . ?
C3 O002 C10 C11 172.6(5) . . . . ?
O002 C10 C9 C14 -176.8(5) . . . . ?
C11 C10 C9 C14 0.3(8) . . . . ?
O002 C10 C9 C8 1.0(7) . . . . ?
C11 C10 C9 C8 178.1(5) . . . . ?
C10 C9 C14 C12 -2.3(8) . . . . ?
C8 C9 C14 C12 179.8(5) . . . . ?
C10 C9 C14 C15 177.0(5) . . . . ?
C8 C9 C14 C15 -0.9(8) . . . . ?
C2 O5 C3 O002 -84.2(5) . . . . ?
C2 O5 C3 C7 153.5(5) . . . . ?
C2 O5 C3 C4 25.9(6) . . . . ?
C10 O002 C3 O5 -79.2(5) . . . . ?
C10 O002 C3 C7 41.5(6) . . . . ?
C10 O002 C3 C4 170.0(4) . . . . ?
O002 C10 C11 C13 179.2(5) . . . . ?
C9 C10 C11 C13 2.0(8) . . . . ?
O002 C10 C11 C22 0.2(8) . . . . ?
C9 C10 C11 C22 -177.0(5) . . . . ?
O5 C3 C7 C8 58.7(6) . . . . ?
O002 C3 C7 C8 -61.8(6) . . . . ?
C4 C3 C7 C8 178.0(5) . . . . ?
O5 C3 C4 C5 -163.3(5) . . . . ?
O002 C3 C4 C5 -49.3(7) . . . . ?
C7 C3 C4 C5 75.0(7) . . . . ?
O5 C3 C4 C1 -37.5(5) . . . . ?
O002 C3 C4 C1 76.4(5) . . . . ?
C7 C3 C4 C1 -159.2(5) . . . . ?
C5 C4 C1 C6 -77.3(7) . . . . ?
C3 C4 C1 C6 156.4(6) . . . . ?
C5 C4 C1 C2 160.9(5) . . . . ?
C3 C4 C1 C2 34.6(6) . . . . ?
C16 O4 C8 C9 -60.2(7) . . . . ?
C16 O4 C8 C7 179.7(6) . . . . ?
C10 C9 C8 O4 -142.0(5) . . . . ?
C14 C9 C8 O4 35.9(6) . . . . ?
C10 C9 C8 C7 -22.5(7) . . . . ?
C14 C9 C8 C7 155.3(5) . . . . ?
C3 C7 C8 O4 170.8(5) . . . . ?
C3 C7 C8 C9 50.7(6) . . . . ?
C9 C14 C12 C13 2.1(9) . . . . ?
C15 C14 C12 C13 -177.2(6) . . . . ?
C23 O2 C22 O1 -1.9(10) . . . . ?
C23 O2 C22 C11 175.7(6) . . . . ?
C13 C11 C22 O1 -3.4(9) . . . . ?
C10 C11 C22 O1 175.6(6) . . . . ?
C13 C11 C22 O2 179.0(5) . . . . ?
C10 C11 C22 O2 -2.0(9) . . . . ?
C10 C11 C13 O3 177.6(5) . . . . ?
C22 C11 C13 O3 -3.3(9) . . . . ?
C10 C11 C13 C12 -2.3(8) . . . . ?
C22 C11 C13 C12 176.8(5) . . . . ?
C14 C12 C13 O3 -179.6(6) . . . . ?
C14 C12 C13 C11 0.3(9) . . . . ?
C3 O5 C2 C1 -2.9(6) . . . . ?
C6 C1 C2 O5 -142.0(5) . . . . ?
C4 C1 C2 O5 -20.9(6) . . . . ?
C12 C14 C15 C16 168.8(8) . . . . ?
C9 C14 C15 C16 -10.4(10) . . . . ?
C2 C1 C6 I001 -63.3(7) . . . . ?
C4 C1 C6 I001 -178.5(4) . . . . ?
C16 C17 C18 C19 176.8(10) . . . . ?
C17 C18 C19 C20 -175.0(10) . . . . ?
C14 C15 C16 O4 -14.8(13) . . . . ?
C14 C15 C16 C17 -172.0(9) . . . . ?
C8 O4 C16 C15 51.4(12) . . . . ?
C8 O4 C16 C17 -148.9(8) . . . . ?
C18 C17 C16 C15 -20.6(17) . . . . ?
C18 C17 C16 O4 -178.4(9) . . . . ?
C18 C19 C20 C21 -174.4(12) . . . . ?

_refine_diff_density_max         1.157
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.076



