# 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_ta_a
_database_code_depnum_ccdc_archive 'CCDC 1936160'
loop_
_audit_author_name
_audit_author_address
'Wei Jiang'
;shanghaijiaotong 
China
;
_audit_update_record             
;
2019-06-24 deposited with the CCDC.	2019-12-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H29 N O7'
_chemical_formula_sum            'C23 H29 N O7'
_chemical_formula_weight         431.47

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'
N N 0.0311 0.0180 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

_cell_length_a                   7.0322(5)
_cell_length_b                   15.7295(11)
_cell_length_c                   20.0907(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2222.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9928
_cell_measurement_theta_min      3.57
_cell_measurement_theta_max      68.31

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_F_000             920
_exptl_transmission_factor_min   0.5844
_exptl_transmission_factor_max   0.7531
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.790
_shelx_estimated_absorpt_T_min   0.858
_shelx_estimated_absorpt_T_max   0.871
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17072
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.569
_diffrn_reflns_theta_max         68.335
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4066
_reflns_number_gt                3898
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.732
_reflns_Friedel_fraction_max     0.992
_reflns_Friedel_fraction_full    0.996

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0573P)²+0.4212P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1590 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.09(7)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         4066
_refine_ls_number_parameters     283
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0961
_refine_ls_wR_factor_gt          0.0939
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_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
O1 O -0.2959(2) 0.77679(12) 0.86895(8) 0.0357(4) Uani 1 1 d . . . . .
C1 C 0.0069(3) 0.76450(14) 0.82389(11) 0.0264(5) Uani 1 1 d . . . . .
N1 N -0.1251(3) 0.78972(12) 0.87721(9) 0.0280(4) Uani 1 1 d . . . . .
O2 O -0.0582(3) 0.82354(11) 0.92709(8) 0.0337(4) Uani 1 1 d . . . . .
C2 C -0.0648(3) 0.75139(14) 0.76063(11) 0.0279(5) Uani 1 1 d . . . . .
H2 H -0.197320 0.755981 0.752104 0.034 Uiso 1 1 calc R U . . .
O3 O 0.5487(2) 0.66548(12) 0.68762(8) 0.0373(4) Uani 1 1 d . . . . .
C3 C 0.0619(3) 0.73129(14) 0.70972(11) 0.0264(5) Uani 1 1 d . . . . .
H3 H 0.016723 0.723692 0.665554 0.032 Uiso 1 1 calc R U . . .
O4 O 0.4012(2) 0.75860(11) 0.45646(8) 0.0338(4) Uani 1 1 d . . . . .
C4 C 0.2549(3) 0.72235(15) 0.72364(11) 0.0271(5) Uani 1 1 d . . . . .
C9 C 0.4604(3) 0.66441(14) 0.55091(11) 0.0256(5) Uani 1 1 d . . . . .
H9 H 0.601041 0.668000 0.557732 0.031 Uiso 1 1 calc R U . . .
C8 C 0.3624(3) 0.72423(15) 0.59986(11) 0.0290(5) Uani 1 1 d . . . . .
H8A H 0.407701 0.782975 0.592000 0.035 Uiso 1 1 calc R U . . .
H8B H 0.223626 0.723143 0.591683 0.035 Uiso 1 1 calc R U . . .
O7 O 0.5494(2) 0.37963(10) 0.44186(7) 0.0297(4) Uani 1 1 d . . . . .
C7 C 0.4004(3) 0.70023(14) 0.67163(11) 0.0276(5) Uani 1 1 d . . . . .
O6 O 0.6218(2) 0.51926(10) 0.47152(7) 0.0263(3) Uani 1 1 d . . . . .
C6 C 0.1970(4) 0.75521(17) 0.83912(12) 0.0339(6) Uani 1 1 d . . . . .
H6 H 0.241849 0.764058 0.883188 0.041 Uiso 1 1 calc R U . . .
O5 O 0.3901(2) 0.61778(10) 0.44230(7) 0.0287(4) Uani 1 1 d . . . . .
C5 C 0.3203(3) 0.73274(17) 0.78874(12) 0.0345(6) Uani 1 1 d . . . . .
H5 H 0.451155 0.724251 0.798423 0.041 Uiso 1 1 calc R U . . .
C10 C 0.4153(3) 0.68815(15) 0.47983(11) 0.0277(5) Uani 1 1 d . . . . .
C11 C 0.4323(3) 0.54215(15) 0.48177(10) 0.0252(5) Uani 1 1 d . . . . .
H11 H 0.345234 0.494374 0.469518 0.030 Uiso 1 1 calc R U . . .
C12 C 0.3991(3) 0.57002(14) 0.55437(10) 0.0234(5) Uani 1 1 d . . . . .
H12 H 0.482226 0.537307 0.585601 0.028 Uiso 1 1 calc R U . . .
C13 C 0.1922(3) 0.55959(14) 0.57220(11) 0.0252(5) Uani 1 1 d . . . . .
H13 H 0.103167 0.578888 0.540012 0.030 Uiso 1 1 calc R U . . .
C14 C 0.1192(3) 0.52657(14) 0.62763(11) 0.0258(5) Uani 1 1 d . . . . .
C15 C -0.0937(3) 0.52275(17) 0.63684(12) 0.0334(5) Uani 1 1 d . . . . .
H15A H -0.156574 0.546345 0.597423 0.050 Uiso 1 1 calc R U . . .
H15B H -0.129633 0.555942 0.676160 0.050 Uiso 1 1 calc R U . . .
H15C H -0.133082 0.463496 0.642920 0.050 Uiso 1 1 calc R U . . .
C16 C 0.2338(4) 0.49255(16) 0.68515(12) 0.0321(5) Uani 1 1 d . . . . .
H16A H 0.191044 0.434847 0.695862 0.048 Uiso 1 1 calc R U . . .
H16B H 0.216080 0.529360 0.724017 0.048 Uiso 1 1 calc R U . . .
H16C H 0.368706 0.491317 0.672989 0.048 Uiso 1 1 calc R U . . .
C17 C 0.6524(3) 0.45203(15) 0.42311(11) 0.0266(5) Uani 1 1 d . . . . .
C18 C 0.5781(3) 0.47498(15) 0.35353(11) 0.0287(5) Uani 1 1 d . . . . .
H18A H 0.591664 0.425069 0.323885 0.034 Uiso 1 1 calc R U . . .
H18B H 0.441202 0.489070 0.356501 0.034 Uiso 1 1 calc R U . . .
C19 C 0.6849(4) 0.55021(16) 0.32336(12) 0.0321(5) Uani 1 1 d . . . . .
H19A H 0.636476 0.561414 0.277930 0.039 Uiso 1 1 calc R U . . .
H19B H 0.662452 0.601634 0.350674 0.039 Uiso 1 1 calc R U . . .
C20 C 0.8969(4) 0.53167(18) 0.32037(13) 0.0369(6) Uani 1 1 d . . . . .
H20A H 0.964658 0.581620 0.302054 0.044 Uiso 1 1 calc R U . . .
H20B H 0.920065 0.482798 0.290406 0.044 Uiso 1 1 calc R U . . .
C21 C 0.9737(4) 0.51138(18) 0.38988(13) 0.0370(6) Uani 1 1 d . . . . .
H21A H 1.110174 0.496614 0.386528 0.044 Uiso 1 1 calc R U . . .
H21B H 0.962428 0.562532 0.418324 0.044 Uiso 1 1 calc R U . . .
C22 C 0.8671(3) 0.43808(16) 0.42238(12) 0.0317(5) Uani 1 1 d . . . . .
H22A H 0.912712 0.431133 0.468678 0.038 Uiso 1 1 calc R U . . .
H22B H 0.895728 0.384928 0.397964 0.038 Uiso 1 1 calc R U . . .
C23 C 0.5980(4) 0.34437(16) 0.50533(11) 0.0352(5) Uani 1 1 d . . . . .
H23A H 0.496428 0.306147 0.520118 0.053 Uiso 1 1 calc R U . . .
H23B H 0.613751 0.390358 0.537775 0.053 Uiso 1 1 calc R U . . .
H23C H 0.717264 0.312472 0.501529 0.053 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 N1 1.229(3) . ?
C1 C6 1.379(3) . ?
C1 C2 1.383(3) . ?
C1 N1 1.472(3) . ?
N1 O2 1.228(3) . ?
C2 C3 1.393(3) . ?
C2 H2 0.9500 . ?
O3 C7 1.220(3) . ?
C3 C4 1.393(3) . ?
C3 H3 0.9500 . ?
O4 C10 1.208(3) . ?
C4 C5 1.396(3) . ?
C4 C7 1.504(3) . ?
C9 C10 1.510(3) . ?
C9 C8 1.525(3) . ?
C9 C12 1.548(3) . ?
C9 H9 1.0000 . ?
C8 C7 1.514(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
O7 C17 1.401(3) . ?
O7 C23 1.432(3) . ?
O6 C11 1.396(3) . ?
O6 C17 1.453(3) . ?
C6 C5 1.379(3) . ?
C6 H6 0.9500 . ?
O5 C10 1.351(3) . ?
O5 C11 1.460(3) . ?
C5 H5 0.9500 . ?
C11 C12 1.541(3) . ?
C11 H11 1.0000 . ?
C12 C13 1.507(3) . ?
C12 H12 1.0000 . ?
C13 C14 1.332(3) . ?
C13 H13 0.9500 . ?
C14 C16 1.507(3) . ?
C14 C15 1.510(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.526(3) . ?
C17 C18 1.535(3) . ?
C18 C19 1.527(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.520(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.531(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.522(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?

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
C6 C1 C2 122.8(2) . . ?
C6 C1 N1 118.58(19) . . ?
C2 C1 N1 118.6(2) . . ?
O2 N1 O1 123.8(2) . . ?
O2 N1 C1 117.95(19) . . ?
O1 N1 C1 118.26(18) . . ?
C1 C2 C3 118.4(2) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C4 C3 C2 119.9(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 119.8(2) . . ?
C3 C4 C7 123.2(2) . . ?
C5 C4 C7 117.0(2) . . ?
C10 C9 C8 111.23(18) . . ?
C10 C9 C12 102.78(18) . . ?
C8 C9 C12 115.92(18) . . ?
C10 C9 H9 108.9 . . ?
C8 C9 H9 108.9 . . ?
C12 C9 H9 108.9 . . ?
C7 C8 C9 112.36(19) . . ?
C7 C8 H8A 109.1 . . ?
C9 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
C9 C8 H8B 109.1 . . ?
H8A C8 H8B 107.9 . . ?
C17 O7 C23 115.50(18) . . ?
O3 C7 C4 120.2(2) . . ?
O3 C7 C8 120.9(2) . . ?
C4 C7 C8 118.9(2) . . ?
C11 O6 C17 115.33(16) . . ?
C5 C6 C1 118.3(2) . . ?
C5 C6 H6 120.9 . . ?
C1 C6 H6 120.9 . . ?
C10 O5 C11 109.74(16) . . ?
C6 C5 C4 120.7(2) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
O4 C10 O5 121.6(2) . . ?
O4 C10 C9 127.7(2) . . ?
O5 C10 C9 110.66(19) . . ?
O6 C11 O5 108.89(17) . . ?
O6 C11 C12 110.95(17) . . ?
O5 C11 C12 104.58(17) . . ?
O6 C11 H11 110.7 . . ?
O5 C11 H11 110.7 . . ?
C12 C11 H11 110.7 . . ?
C13 C12 C11 109.88(18) . . ?
C13 C12 C9 112.58(18) . . ?
C11 C12 C9 100.85(17) . . ?
C13 C12 H12 111.0 . . ?
C11 C12 H12 111.0 . . ?
C9 C12 H12 111.0 . . ?
C14 C13 C12 127.8(2) . . ?
C14 C13 H13 116.1 . . ?
C12 C13 H13 116.1 . . ?
C13 C14 C16 125.0(2) . . ?
C13 C14 C15 120.0(2) . . ?
C16 C14 C15 115.0(2) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O7 C17 O6 109.58(16) . . ?
O7 C17 C22 113.42(19) . . ?
O6 C17 C22 104.93(18) . . ?
O7 C17 C18 105.07(18) . . ?
O6 C17 C18 112.83(18) . . ?
C22 C17 C18 111.20(19) . . ?
C19 C18 C17 112.1(2) . . ?
C19 C18 H18A 109.2 . . ?
C17 C18 H18A 109.2 . . ?
C19 C18 H18B 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C20 C19 C18 110.4(2) . . ?
C20 C19 H19A 109.6 . . ?
C18 C19 H19A 109.6 . . ?
C20 C19 H19B 109.6 . . ?
C18 C19 H19B 109.6 . . ?
H19A C19 H19B 108.1 . . ?
C19 C20 C21 110.5(2) . . ?
C19 C20 H20A 109.6 . . ?
C21 C20 H20A 109.6 . . ?
C19 C20 H20B 109.6 . . ?
C21 C20 H20B 109.6 . . ?
H20A C20 H20B 108.1 . . ?
C22 C21 C20 112.1(2) . . ?
C22 C21 H21A 109.2 . . ?
C20 C21 H21A 109.2 . . ?
C22 C21 H21B 109.2 . . ?
C20 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C21 C22 C17 112.5(2) . . ?
C21 C22 H22A 109.1 . . ?
C17 C22 H22A 109.1 . . ?
C21 C22 H22B 109.1 . . ?
C17 C22 H22B 109.1 . . ?
H22A C22 H22B 107.8 . . ?
O7 C23 H23A 109.5 . . ?
O7 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O7 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
C6 C1 N1 O2 19.6(3) . . . . ?
C2 C1 N1 O2 -160.2(2) . . . . ?
C6 C1 N1 O1 -161.4(2) . . . . ?
C2 C1 N1 O1 18.8(3) . . . . ?
C6 C1 C2 C3 -2.7(4) . . . . ?
N1 C1 C2 C3 177.2(2) . . . . ?
C1 C2 C3 C4 1.9(3) . . . . ?
C2 C3 C4 C5 0.6(4) . . . . ?
C2 C3 C4 C7 179.6(2) . . . . ?
C10 C9 C8 C7 178.25(19) . . . . ?
C12 C9 C8 C7 61.3(3) . . . . ?
C3 C4 C7 O3 -155.0(2) . . . . ?
C5 C4 C7 O3 24.0(3) . . . . ?
C3 C4 C7 C8 26.9(3) . . . . ?
C5 C4 C7 C8 -154.1(2) . . . . ?
C9 C8 C7 O3 30.0(3) . . . . ?
C9 C8 C7 C4 -151.9(2) . . . . ?
C2 C1 C6 C5 0.7(4) . . . . ?
N1 C1 C6 C5 -179.1(2) . . . . ?
C1 C6 C5 C4 2.0(4) . . . . ?
C3 C4 C5 C6 -2.6(4) . . . . ?
C7 C4 C5 C6 178.3(2) . . . . ?
C11 O5 C10 O4 174.9(2) . . . . ?
C11 O5 C10 C9 -5.2(2) . . . . ?
C8 C9 C10 O4 38.8(3) . . . . ?
C12 C9 C10 O4 163.5(2) . . . . ?
C8 C9 C10 O5 -141.06(19) . . . . ?
C12 C9 C10 O5 -16.4(2) . . . . ?
C17 O6 C11 O5 -98.1(2) . . . . ?
C17 O6 C11 C12 147.30(18) . . . . ?
C10 O5 C11 O6 -93.83(19) . . . . ?
C10 O5 C11 C12 24.8(2) . . . . ?
O6 C11 C12 C13 -156.77(19) . . . . ?
O5 C11 C12 C13 86.0(2) . . . . ?
O6 C11 C12 C9 84.2(2) . . . . ?
O5 C11 C12 C9 -33.0(2) . . . . ?
C10 C9 C12 C13 -87.7(2) . . . . ?
C8 C9 C12 C13 33.8(3) . . . . ?
C10 C9 C12 C11 29.4(2) . . . . ?
C8 C9 C12 C11 150.89(19) . . . . ?
C11 C12 C13 C14 135.6(2) . . . . ?
C9 C12 C13 C14 -112.9(3) . . . . ?
C12 C13 C14 C16 0.3(4) . . . . ?
C12 C13 C14 C15 179.1(2) . . . . ?
C23 O7 C17 O6 -60.2(2) . . . . ?
C23 O7 C17 C22 56.7(2) . . . . ?
C23 O7 C17 C18 178.35(19) . . . . ?
C11 O6 C17 O7 -56.7(2) . . . . ?
C11 O6 C17 C22 -178.83(19) . . . . ?
C11 O6 C17 C18 60.0(2) . . . . ?
O7 C17 C18 C19 -176.48(19) . . . . ?
O6 C17 C18 C19 64.2(2) . . . . ?
C22 C17 C18 C19 -53.4(3) . . . . ?
C17 C18 C19 C20 56.9(3) . . . . ?
C18 C19 C20 C21 -57.4(3) . . . . ?
C19 C20 C21 C22 56.0(3) . . . . ?
C20 C21 C22 C17 -53.1(3) . . . . ?
O7 C17 C22 C21 169.39(19) . . . . ?
O6 C17 C22 C21 -71.1(2) . . . . ?
C18 C17 C22 C21 51.2(3) . . . . ?

_refine_diff_density_max         0.233
_refine_diff_density_min         -0.232
_refine_diff_density_rms         0.044



