# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 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_a
_database_code_depnum_ccdc_archive 'CCDC 1950371'
loop_
_audit_author_name
_audit_author_address
'NA YE'
;SooChow University
China
;
_audit_update_record             
;
2019-08-30 deposited with the CCDC.	2019-12-16 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         ?
_chemical_formula_sum            'C22 H30 N2 O4'
_chemical_formula_weight         386.48

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   30.064(7)
_cell_length_b                   9.445(2)
_cell_length_c                   15.361(4)
_cell_angle_alpha                90
_cell_angle_beta                 105.189(7)
_cell_angle_gamma                90
_cell_volume                     4209.5(17)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9979
_cell_measurement_theta_min      2.74
_cell_measurement_theta_max      27.29

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_F_000             1664
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.084
_shelx_estimated_absorpt_T_min   0.975
_shelx_estimated_absorpt_T_max   0.992
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.981
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_process_details   ?
_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 CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            55919
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.739
_diffrn_reflns_theta_max         27.608
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             4834
_reflns_number_gt                3785
_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 APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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] 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_number_reflns         4834
_refine_ls_number_parameters     260
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0568
_refine_ls_wR_factor_ref         0.1978
_refine_ls_wR_factor_gt          0.1861
_refine_ls_goodness_of_fit_ref   1.474
_refine_ls_restrained_S_all      1.474
_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 0.39450(4) 0.23531(14) 0.73703(7) 0.0648(4) Uani 1 1 d . . . . .
O2 O 0.40559(4) 0.10941(12) 0.62135(8) 0.0631(4) Uani 1 1 d . . . . .
O3 O 0.36081(4) 0.42569(12) 0.41571(7) 0.0564(3) Uani 1 1 d . . . . .
O4 O 0.29781(3) 0.16160(10) 0.61418(8) 0.0508(3) Uani 1 1 d . . . . .
C1 C 0.48499(7) 0.7930(2) 0.42401(15) 0.0771(6) Uani 1 1 d . . . . .
H20 H 0.488076 0.716604 0.384805 0.116 Uiso 1 1 calc R U . . .
H21 H 0.507984 0.863547 0.423967 0.116 Uiso 1 1 calc R U . . .
H1 H 0.454902 0.834352 0.403112 0.116 Uiso 1 1 calc R U . . .
N1 N 0.49096(5) 0.74038(17) 0.51345(11) 0.0727(5) Uani 1 1 d . . . . .
C3 C 0.46242(5) 0.63672(16) 0.53135(10) 0.0488(4) Uani 1 1 d . . . . .
C4 C 0.42607(5) 0.58368(15) 0.46220(10) 0.0447(4) Uani 1 1 d . . . . .
H25 H 0.421729 0.616807 0.403556 0.054 Uiso 1 1 calc R U . . .
C5 C 0.39663(4) 0.48237(14) 0.48073(9) 0.0398(3) Uani 1 1 d . . . . .
C6 C 0.40113(4) 0.43046(14) 0.56768(9) 0.0396(3) Uani 1 1 d . . . . .
C7 C 0.36659(4) 0.32399(14) 0.58430(9) 0.0396(3) Uani 1 1 d . . . . .
H26 H 0.356198 0.268507 0.528756 0.047 Uiso 1 1 calc R U . . .
C8 C 0.32388(4) 0.39055(14) 0.60179(8) 0.0374(3) Uani 1 1 d . . . . .
C9 C 0.31587(5) 0.53405(14) 0.59959(9) 0.0430(3) Uani 1 1 d . . . . .
H9 H 0.338959 0.594813 0.592278 0.052 Uiso 1 1 calc R U . . .
C10 C 0.27489(5) 0.59163(16) 0.60782(10) 0.0482(4) Uani 1 1 d . . . . .
H8 H 0.270936 0.689344 0.605945 0.058 Uiso 1 1 calc R U . . .
C11 C 0.23934(5) 0.50373(16) 0.61894(10) 0.0477(4) Uani 1 1 d . . . . .
N2 N 0.19806(5) 0.55909(16) 0.62714(12) 0.0700(5) Uani 1 1 d . . . . .
C13 C 0.19006(8) 0.7083(2) 0.61971(18) 0.0904(7) Uani 1 1 d . . . . .
H6 H 0.210495 0.755371 0.669934 0.136 Uiso 1 1 calc R U . . .
H7 H 0.158714 0.727794 0.619671 0.136 Uiso 1 1 calc R U . . .
H2 H 0.195603 0.742075 0.564536 0.136 Uiso 1 1 calc R U . . .
C14 C 0.15994(7) 0.4712(3) 0.6289(2) 0.0913(7) Uani 1 1 d . . . . .
H4 H 0.149032 0.424666 0.571735 0.137 Uiso 1 1 calc R U . . .
H5 H 0.135674 0.527986 0.640667 0.137 Uiso 1 1 calc R U . . .
H3 H 0.169373 0.401473 0.675631 0.137 Uiso 1 1 calc R U . . .
C15 C 0.38982(5) 0.22079(15) 0.65788(10) 0.0448(4) Uani 1 1 d . . . . .
C16 C 0.42547(8) -0.0061(2) 0.68063(18) 0.0843(6) Uani 1 1 d . . . . .
H10 H 0.431369 0.024066 0.742974 0.101 Uiso 1 1 calc R U . . .
H14 H 0.454543 -0.034151 0.669570 0.101 Uiso 1 1 calc R U . . .
C17 C 0.39374(12) -0.1256(3) 0.6644(2) 0.1218(10) Uani 1 1 d . . . . .
H13 H 0.365069 -0.097444 0.675687 0.183 Uiso 1 1 calc R U . . .
H12 H 0.406844 -0.202107 0.704025 0.183 Uiso 1 1 calc R U . . .
H11 H 0.388389 -0.156027 0.602924 0.183 Uiso 1 1 calc R U . . .
C18 C 0.35706(6) 0.45563(18) 0.32391(10) 0.0541(4) Uani 1 1 d . . . . .
H16 H 0.351557 0.555005 0.313090 0.081 Uiso 1 1 calc R U . . .
H17 H 0.331907 0.402667 0.286755 0.081 Uiso 1 1 calc R U . . .
H15 H 0.385172 0.429540 0.309523 0.081 Uiso 1 1 calc R U . . .
C19 C 0.46758(6) 0.58282(18) 0.61855(11) 0.0556(4) Uani 1 1 d . . . . .
H18 H 0.491704 0.614554 0.665692 0.067 Uiso 1 1 calc R U . . .
C20 C 0.43743(5) 0.48386(17) 0.63494(10) 0.0503(4) Uani 1 1 d . . . . .
H19 H 0.441483 0.451191 0.693612 0.060 Uiso 1 1 calc R U . . .
C2 C 0.53090(6) 0.7840(2) 0.58159(15) 0.0758(6) Uani 1 1 d . . . . .
H22 H 0.521523 0.833028 0.628587 0.114 Uiso 1 1 calc R U . . .
H23 H 0.549214 0.845994 0.555515 0.114 Uiso 1 1 calc R U . . .
H24 H 0.548762 0.702316 0.606373 0.114 Uiso 1 1 calc R U . . .
C22 C 0.28842(5) 0.30299(14) 0.61361(9) 0.0399(3) Uani 1 1 d . . . . .
C12 C 0.26379(6) 0.06352(17) 0.62373(12) 0.0572(4) Uani 1 1 d . . . . .
H27 H 0.256876 0.078356 0.680619 0.086 Uiso 1 1 calc R U . . .
H29 H 0.275061 -0.031117 0.621354 0.086 Uiso 1 1 calc R U . . .
H28 H 0.236353 0.076809 0.575692 0.086 Uiso 1 1 calc R U . . .
C21 C 0.24704(5) 0.35698(16) 0.62223(10) 0.0465(4) Uani 1 1 d . . . . .
H30 H 0.224205 0.295798 0.630256 0.056 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 C15 1.1945(17) . ?
O2 C15 1.3363(19) . ?
O2 C16 1.446(2) . ?
O3 C5 1.3712(16) . ?
O3 C18 1.4135(18) . ?
O4 C22 1.3645(17) . ?
O4 C12 1.4160(18) . ?
C1 N1 1.427(2) . ?
C1 H20 0.9600 . ?
C1 H21 0.9600 . ?
C1 H1 0.9600 . ?
N1 C3 1.376(2) . ?
N1 C2 1.431(2) . ?
C3 C4 1.402(2) . ?
C3 C19 1.403(2) . ?
C4 C5 1.3828(19) . ?
C4 H25 0.9300 . ?
C5 C6 1.3956(19) . ?
C6 C20 1.386(2) . ?
C6 C7 1.5146(18) . ?
C7 C15 1.5172(19) . ?
C7 C8 1.5156(18) . ?
C7 H26 0.9800 . ?
C8 C9 1.375(2) . ?
C8 C22 1.3980(19) . ?
C9 C10 1.382(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.399(2) . ?
C10 H8 0.9300 . ?
C11 N2 1.3828(19) . ?
C11 C21 1.404(2) . ?
N2 C14 1.421(2) . ?
N2 C13 1.430(3) . ?
C13 H6 0.9600 . ?
C13 H7 0.9600 . ?
C13 H2 0.9600 . ?
C14 H4 0.9600 . ?
C14 H5 0.9600 . ?
C14 H3 0.9600 . ?
C16 C17 1.456(4) . ?
C16 H10 0.9700 . ?
C16 H14 0.9700 . ?
C17 H13 0.9600 . ?
C17 H12 0.9600 . ?
C17 H11 0.9600 . ?
C18 H16 0.9600 . ?
C18 H17 0.9600 . ?
C18 H15 0.9600 . ?
C19 C20 1.371(2) . ?
C19 H18 0.9300 . ?
C20 H19 0.9300 . ?
C2 H22 0.9600 . ?
C2 H23 0.9600 . ?
C2 H24 0.9600 . ?
C22 C21 1.382(2) . ?
C12 H27 0.9600 . ?
C12 H29 0.9600 . ?
C12 H28 0.9600 . ?
C21 H30 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
C15 O2 C16 117.58(16) . . ?
C5 O3 C18 119.39(11) . . ?
C22 O4 C12 119.15(12) . . ?
N1 C1 H20 109.5 . . ?
N1 C1 H21 109.5 . . ?
H20 C1 H21 109.5 . . ?
N1 C1 H1 109.5 . . ?
H20 C1 H1 109.5 . . ?
H21 C1 H1 109.5 . . ?
C3 N1 C1 120.82(15) . . ?
C3 N1 C2 120.41(16) . . ?
C1 N1 C2 118.25(15) . . ?
N1 C3 C4 120.40(14) . . ?
N1 C3 C19 122.01(14) . . ?
C4 C3 C19 117.58(14) . . ?
C5 C4 C3 120.35(13) . . ?
C5 C4 H25 119.8 . . ?
C3 C4 H25 119.8 . . ?
O3 C5 C4 122.89(12) . . ?
O3 C5 C6 114.88(12) . . ?
C4 C5 C6 122.22(12) . . ?
C20 C6 C5 116.46(13) . . ?
C20 C6 C7 123.82(12) . . ?
C5 C6 C7 119.71(12) . . ?
C6 C7 C15 110.49(11) . . ?
C6 C7 C8 113.88(11) . . ?
C15 C7 C8 112.35(11) . . ?
C6 C7 H26 106.5 . . ?
C15 C7 H26 106.5 . . ?
C8 C7 H26 106.5 . . ?
C9 C8 C22 116.84(12) . . ?
C9 C8 C7 123.73(12) . . ?
C22 C8 C7 119.21(12) . . ?
C8 C9 C10 122.68(13) . . ?
C8 C9 H9 118.7 . . ?
C10 C9 H9 118.7 . . ?
C9 C10 C11 120.35(13) . . ?
C9 C10 H8 119.8 . . ?
C11 C10 H8 119.8 . . ?
N2 C11 C10 121.30(14) . . ?
N2 C11 C21 120.90(14) . . ?
C10 C11 C21 117.80(13) . . ?
C11 N2 C14 121.90(15) . . ?
C11 N2 C13 120.12(16) . . ?
C14 N2 C13 117.27(16) . . ?
N2 C13 H6 109.5 . . ?
N2 C13 H7 109.5 . . ?
H6 C13 H7 109.5 . . ?
N2 C13 H2 109.5 . . ?
H6 C13 H2 109.5 . . ?
H7 C13 H2 109.5 . . ?
N2 C14 H4 109.5 . . ?
N2 C14 H5 109.5 . . ?
H4 C14 H5 109.5 . . ?
N2 C14 H3 109.5 . . ?
H4 C14 H3 109.5 . . ?
H5 C14 H3 109.5 . . ?
O1 C15 O2 123.89(14) . . ?
O1 C15 C7 126.37(14) . . ?
O2 C15 C7 109.73(12) . . ?
O2 C16 C17 109.45(19) . . ?
O2 C16 H10 109.8 . . ?
C17 C16 H10 109.8 . . ?
O2 C16 H14 109.8 . . ?
C17 C16 H14 109.8 . . ?
H10 C16 H14 108.2 . . ?
C16 C17 H13 109.5 . . ?
C16 C17 H12 109.5 . . ?
H13 C17 H12 109.5 . . ?
C16 C17 H11 109.5 . . ?
H13 C17 H11 109.5 . . ?
H12 C17 H11 109.5 . . ?
O3 C18 H16 109.5 . . ?
O3 C18 H17 109.5 . . ?
H16 C18 H17 109.5 . . ?
O3 C18 H15 109.5 . . ?
H16 C18 H15 109.5 . . ?
H17 C18 H15 109.5 . . ?
C20 C19 C3 120.65(14) . . ?
C20 C19 H18 119.7 . . ?
C3 C19 H18 119.7 . . ?
C19 C20 C6 122.73(14) . . ?
C19 C20 H19 118.6 . . ?
C6 C20 H19 118.6 . . ?
N1 C2 H22 109.5 . . ?
N1 C2 H23 109.5 . . ?
H22 C2 H23 109.5 . . ?
N1 C2 H24 109.5 . . ?
H22 C2 H24 109.5 . . ?
H23 C2 H24 109.5 . . ?
O4 C22 C21 123.38(13) . . ?
O4 C22 C8 114.59(12) . . ?
C21 C22 C8 122.01(13) . . ?
O4 C12 H27 109.5 . . ?
O4 C12 H29 109.5 . . ?
H27 C12 H29 109.5 . . ?
O4 C12 H28 109.5 . . ?
H27 C12 H28 109.5 . . ?
H29 C12 H28 109.5 . . ?
C22 C21 C11 120.31(13) . . ?
C22 C21 H30 119.8 . . ?
C11 C21 H30 119.8 . . ?

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
C1 N1 C3 C4 -1.8(3) . . . . ?
C2 N1 C3 C4 -173.41(16) . . . . ?
C1 N1 C3 C19 179.84(17) . . . . ?
C2 N1 C3 C19 8.2(3) . . . . ?
N1 C3 C4 C5 -178.19(14) . . . . ?
C19 C3 C4 C5 0.3(2) . . . . ?
C18 O3 C5 C4 9.1(2) . . . . ?
C18 O3 C5 C6 -171.10(13) . . . . ?
C3 C4 C5 O3 -179.32(13) . . . . ?
C3 C4 C5 C6 0.9(2) . . . . ?
O3 C5 C6 C20 179.05(12) . . . . ?
C4 C5 C6 C20 -1.2(2) . . . . ?
O3 C5 C6 C7 -2.29(19) . . . . ?
C4 C5 C6 C7 177.46(12) . . . . ?
C20 C6 C7 C15 -35.31(18) . . . . ?
C5 C6 C7 C15 146.14(13) . . . . ?
C20 C6 C7 C8 92.23(16) . . . . ?
C5 C6 C7 C8 -86.32(15) . . . . ?
C6 C7 C8 C9 2.38(17) . . . . ?
C15 C7 C8 C9 128.96(13) . . . . ?
C6 C7 C8 C22 176.84(11) . . . . ?
C15 C7 C8 C22 -56.58(16) . . . . ?
C22 C8 C9 C10 -0.49(19) . . . . ?
C7 C8 C9 C10 174.08(12) . . . . ?
C8 C9 C10 C11 0.0(2) . . . . ?
C9 C10 C11 N2 -179.89(14) . . . . ?
C9 C10 C11 C21 0.6(2) . . . . ?
C10 C11 N2 C14 173.26(18) . . . . ?
C21 C11 N2 C14 -7.2(3) . . . . ?
C10 C11 N2 C13 3.2(3) . . . . ?
C21 C11 N2 C13 -177.29(17) . . . . ?
C16 O2 C15 O1 6.2(2) . . . . ?
C16 O2 C15 C7 -174.96(14) . . . . ?
C6 C7 C15 O1 88.84(17) . . . . ?
C8 C7 C15 O1 -39.5(2) . . . . ?
C6 C7 C15 O2 -89.95(14) . . . . ?
C8 C7 C15 O2 141.67(12) . . . . ?
C15 O2 C16 C17 106.6(2) . . . . ?
N1 C3 C19 C20 177.24(17) . . . . ?
C4 C3 C19 C20 -1.2(2) . . . . ?
C3 C19 C20 C6 0.9(3) . . . . ?
C5 C6 C20 C19 0.3(2) . . . . ?
C7 C6 C20 C19 -178.34(15) . . . . ?
C12 O4 C22 C21 0.2(2) . . . . ?
C12 O4 C22 C8 -178.61(12) . . . . ?
C9 C8 C22 O4 179.21(12) . . . . ?
C7 C8 C22 O4 4.37(17) . . . . ?
C9 C8 C22 C21 0.4(2) . . . . ?
C7 C8 C22 C21 -174.48(12) . . . . ?
O4 C22 C21 C11 -178.50(13) . . . . ?
C8 C22 C21 C11 0.3(2) . . . . ?
N2 C11 C21 C22 179.76(14) . . . . ?
C10 C11 C21 C22 -0.7(2) . . . . ?

_refine_diff_density_max         0.261
_refine_diff_density_min         -0.264
_refine_diff_density_rms         0.044

