# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_1683
_database_code_depnum_ccdc_archive 'CCDC 2176803'
loop_
_audit_author_name
_audit_author_address
'Beeraiah Baire'
;IIT Madras
India
;
_audit_update_record             
;
2022-06-03 deposited with the CCDC.	2022-08-17 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 H25 N O6'
_chemical_formula_weight         411.44

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'
N N 0.0061 0.0033 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   8.3160(3)
_cell_length_b                   10.2395(5)
_cell_length_c                   12.7297(6)
_cell_angle_alpha                83.941(2)
_cell_angle_beta                 84.824(2)
_cell_angle_gamma                74.004(2)
_cell_volume                     1034.04(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3596
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      25.04

_exptl_crystal_description       Rectangular
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_F_000             436
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.096
_shelx_estimated_absorpt_T_min   0.983
_shelx_estimated_absorpt_T_max   0.990
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_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            14629
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.076
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3630
_reflns_number_gt                2633
_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    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0524P)²+0.1923P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.014(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3630
_refine_ls_number_parameters     276
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0403
_refine_ls_wR_factor_ref         0.1103
_refine_ls_wR_factor_gt          0.0977
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_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
C1 C 1.1214(2) 0.11976(17) 0.68515(15) 0.0354(4) Uani 1 1 d . . . . .
C2 C 1.2446(2) -0.00110(19) 0.66490(18) 0.0463(5) Uani 1 1 d . . . . .
H2 H 1.2765 -0.0255 0.5962 0.056 Uiso 1 1 calc R U . . .
C3 C 1.3158(2) -0.0813(2) 0.74999(19) 0.0515(6) Uani 1 1 d . . . . .
H3 H 1.3986 -0.1615 0.7385 0.062 Uiso 1 1 calc R U . . .
C4 C 1.2686(2) -0.04725(19) 0.85387(18) 0.0500(5) Uani 1 1 d . . . . .
H4 H 1.3182 -0.1060 0.9098 0.060 Uiso 1 1 calc R U . . .
C5 C 1.1503(2) 0.07151(18) 0.87441(16) 0.0414(5) Uani 1 1 d . . . . .
H5 H 1.1200 0.0944 0.9436 0.050 Uiso 1 1 calc R U . . .
C6 C 1.0758(2) 0.15804(17) 0.78876(14) 0.0326(4) Uani 1 1 d . . . . .
C7 C 0.9517(2) 0.28477(16) 0.78041(14) 0.0310(4) Uani 1 1 d . . . . .
C8 C 0.8673(2) 0.37050(17) 0.86819(13) 0.0330(4) Uani 1 1 d . . . . .
H8A H 0.9503 0.3775 0.9146 0.040 Uiso 1 1 calc R U . . .
H8B H 0.7887 0.3279 0.9095 0.040 Uiso 1 1 calc R U . . .
C9 C 0.77428(19) 0.51309(16) 0.82266(13) 0.0294(4) Uani 1 1 d . . . . .
C10 C 0.6775(2) 0.50142(18) 0.72808(14) 0.0344(4) Uani 1 1 d . . . . .
H10A H 0.6010 0.4461 0.7510 0.041 Uiso 1 1 calc R U . . .
H10B H 0.6115 0.5915 0.7035 0.041 Uiso 1 1 calc R U . . .
C11 C 0.7940(2) 0.43827(17) 0.63727(14) 0.0317(4) Uani 1 1 d . . . . .
C12 C 0.9217(2) 0.31841(17) 0.67477(14) 0.0318(4) Uani 1 1 d . . . . .
C13 C 1.0301(3) 0.2025(2) 0.50295(15) 0.0518(5) Uani 1 1 d . . . . .
H13A H 1.0931 0.1119 0.4883 0.078 Uiso 1 1 calc R U . . .
H13B H 1.0816 0.2673 0.4637 0.078 Uiso 1 1 calc R U . . .
H13C H 0.9175 0.2187 0.4825 0.078 Uiso 1 1 calc R U . . .
C14 C 0.6528(2) 0.58652(16) 0.90832(14) 0.0322(4) Uani 1 1 d . . . . .
C15 C 0.6397(2) 0.6810(2) 1.07098(16) 0.0503(5) Uani 1 1 d . . . . .
H15A H 0.5845 0.7726 1.0454 0.075 Uiso 1 1 calc R U . . .
H15B H 0.7123 0.6830 1.1250 0.075 Uiso 1 1 calc R U . . .
H15C H 0.5575 0.6350 1.0999 0.075 Uiso 1 1 calc R U . . .
C16 C 0.8860(2) 0.60736(18) 0.78540(14) 0.0350(4) Uani 1 1 d . . . . .
C17 C 1.1469(3) 0.6525(3) 0.7877(2) 0.0783(8) Uani 1 1 d . . . . .
H17A H 1.1723 0.6613 0.7126 0.117 Uiso 1 1 calc R U . . .
H17B H 1.2492 0.6174 0.8231 0.117 Uiso 1 1 calc R U . . .
H17C H 1.0885 0.7401 0.8112 0.117 Uiso 1 1 calc R U . . .
C18 C 0.7733(2) 0.49170(18) 0.53590(15) 0.0378(4) Uani 1 1 d . . . . .
H18 H 0.8513 0.4505 0.4841 0.045 Uiso 1 1 calc R U . . .
C19 C 0.6402(2) 0.60715(18) 0.50213(15) 0.0386(4) Uani 1 1 d . . . . .
H19 H 0.5627 0.6464 0.5550 0.046 Uiso 1 1 calc R U . . .
C20 C 0.6149(2) 0.66448(19) 0.40417(15) 0.0413(5) Uani 1 1 d . . . . .
H20 H 0.6880 0.6302 0.3478 0.050 Uiso 1 1 calc R U . . .
C21 C 0.4699(2) 0.78255(19) 0.38613(15) 0.0403(5) Uani 1 1 d . . . . .
C22 C 0.3140(2) 0.94719(19) 0.26449(16) 0.0464(5) Uani 1 1 d . . . . .
H22A H 0.3341 1.0234 0.2955 0.056 Uiso 1 1 calc R U . . .
H22B H 0.2095 0.9322 0.2965 0.056 Uiso 1 1 calc R U . . .
C23 C 0.3029(3) 0.9780(2) 0.14811(17) 0.0586(6) Uani 1 1 d . . . . .
H23A H 0.4076 0.9906 0.1169 0.088 Uiso 1 1 calc R U . . .
H23B H 0.2151 1.0597 0.1339 0.088 Uiso 1 1 calc R U . . .
H23C H 0.2790 0.9035 0.1184 0.088 Uiso 1 1 calc R U . . .
N1 N 1.02720(17) 0.21697(15) 0.61583(12) 0.0359(4) Uani 1 1 d . . . . .
O1 O 0.50342(15) 0.61848(14) 0.90789(11) 0.0498(4) Uani 1 1 d . . . . .
O2 O 0.73702(14) 0.60985(13) 0.98507(10) 0.0439(4) Uani 1 1 d . . . . .
O3 O 1.04214(15) 0.55948(14) 0.81207(12) 0.0562(4) Uani 1 1 d . . . . .
O4 O 0.83294(17) 0.71580(14) 0.73791(12) 0.0574(4) Uani 1 1 d . . . . .
O5 O 0.3740(2) 0.83554(16) 0.45577(12) 0.0687(5) Uani 1 1 d . . . . .
O6 O 0.45114(15) 0.82537(12) 0.28407(10) 0.0424(3) Uani 1 1 d . . . . .


_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
C1 N1 1.376(2) . ?
C1 C2 1.403(2) . ?
C1 C6 1.405(2) . ?
C2 C3 1.363(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.397(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.370(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.405(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.419(2) . ?
C7 C12 1.380(2) . ?
C7 C8 1.496(2) . ?
C8 C9 1.532(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C14 1.527(2) . ?
C9 C16 1.529(2) . ?
C9 C10 1.539(2) . ?
C10 C11 1.518(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C18 1.354(2) . ?
C11 C12 1.453(2) . ?
C12 N1 1.398(2) . ?
C13 N1 1.457(2) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 O1 1.1946(19) . ?
C14 O2 1.329(2) . ?
C15 O2 1.437(2) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O4 1.196(2) . ?
C16 O3 1.317(2) . ?
C17 O3 1.452(2) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.437(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.330(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.468(3) . ?
C20 H20 0.9300 . ?
C21 O5 1.205(2) . ?
C21 O6 1.335(2) . ?
C22 O6 1.456(2) . ?
C22 C23 1.487(3) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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
N1 C1 C2 129.74(18) . . ?
N1 C1 C6 108.90(14) . . ?
C2 C1 C6 121.36(18) . . ?
C3 C2 C1 117.30(19) . . ?
C3 C2 H2 121.3 . . ?
C1 C2 H2 121.3 . . ?
C2 C3 C4 122.25(18) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
C5 C4 C3 120.90(19) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 118.58(19) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C5 C6 C1 119.55(16) . . ?
C5 C6 C7 133.82(17) . . ?
C1 C6 C7 106.61(15) . . ?
C12 C7 C6 107.83(15) . . ?
C12 C7 C8 124.75(15) . . ?
C6 C7 C8 127.42(15) . . ?
C7 C8 C9 110.03(14) . . ?
C7 C8 H8A 109.7 . . ?
C9 C8 H8A 109.7 . . ?
C7 C8 H8B 109.7 . . ?
C9 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
C14 C9 C16 104.85(13) . . ?
C14 C9 C8 109.48(13) . . ?
C16 C9 C8 114.88(14) . . ?
C14 C9 C10 109.96(13) . . ?
C16 C9 C10 107.81(14) . . ?
C8 C9 C10 109.72(13) . . ?
C11 C10 C9 112.05(13) . . ?
C11 C10 H10A 109.2 . . ?
C9 C10 H10A 109.2 . . ?
C11 C10 H10B 109.2 . . ?
C9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C18 C11 C12 127.14(16) . . ?
C18 C11 C10 121.53(16) . . ?
C12 C11 C10 111.32(15) . . ?
C7 C12 N1 108.68(14) . . ?
C7 C12 C11 122.99(15) . . ?
N1 C12 C11 128.27(16) . . ?
N1 C13 H13A 109.5 . . ?
N1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O1 C14 O2 124.18(16) . . ?
O1 C14 C9 125.62(16) . . ?
O2 C14 C9 110.21(13) . . ?
O2 C15 H15A 109.5 . . ?
O2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 O3 123.94(17) . . ?
O4 C16 C9 121.90(16) . . ?
O3 C16 C9 114.15(15) . . ?
O3 C17 H17A 109.5 . . ?
O3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C11 C18 C19 125.10(17) . . ?
C11 C18 H18 117.4 . . ?
C19 C18 H18 117.4 . . ?
C20 C19 C18 127.61(18) . . ?
C20 C19 H19 116.2 . . ?
C18 C19 H19 116.2 . . ?
C19 C20 C21 119.16(18) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 H20 120.4 . . ?
O5 C21 O6 122.39(17) . . ?
O5 C21 C20 123.95(18) . . ?
O6 C21 C20 113.65(16) . . ?
O6 C22 C23 108.51(15) . . ?
O6 C22 H22A 110.0 . . ?
C23 C22 H22A 110.0 . . ?
O6 C22 H22B 110.0 . . ?
C23 C22 H22B 110.0 . . ?
H22A C22 H22B 108.4 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C1 N1 C12 107.96(14) . . ?
C1 N1 C13 123.36(15) . . ?
C12 N1 C13 128.35(15) . . ?
C14 O2 C15 116.89(14) . . ?
C16 O3 C17 115.47(17) . . ?
C21 O6 C22 114.67(14) . . ?

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
N1 C1 C2 C3 -178.29(17) . . . . ?
C6 C1 C2 C3 1.4(3) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
C2 C3 C4 C5 -1.7(3) . . . . ?
C3 C4 C5 C6 0.7(3) . . . . ?
C4 C5 C6 C1 1.3(3) . . . . ?
C4 C5 C6 C7 179.43(18) . . . . ?
N1 C1 C6 C5 177.37(15) . . . . ?
C2 C1 C6 C5 -2.4(2) . . . . ?
N1 C1 C6 C7 -1.23(18) . . . . ?
C2 C1 C6 C7 179.05(16) . . . . ?
C5 C6 C7 C12 -176.75(18) . . . . ?
C1 C6 C7 C12 1.56(18) . . . . ?
C5 C6 C7 C8 4.1(3) . . . . ?
C1 C6 C7 C8 -177.62(15) . . . . ?
C12 C7 C8 C9 -12.6(2) . . . . ?
C6 C7 C8 C9 166.45(16) . . . . ?
C7 C8 C9 C14 165.18(13) . . . . ?
C7 C8 C9 C16 -77.19(17) . . . . ?
C7 C8 C9 C10 44.43(18) . . . . ?
C14 C9 C10 C11 175.85(14) . . . . ?
C16 C9 C10 C11 62.08(18) . . . . ?
C8 C9 C10 C11 -63.69(18) . . . . ?
C9 C10 C11 C18 -134.84(17) . . . . ?
C9 C10 C11 C12 45.61(19) . . . . ?
C6 C7 C12 N1 -1.33(19) . . . . ?
C8 C7 C12 N1 177.89(14) . . . . ?
C6 C7 C12 C11 176.15(15) . . . . ?
C8 C7 C12 C11 -4.6(3) . . . . ?
C18 C11 C12 C7 168.39(17) . . . . ?
C10 C11 C12 C7 -12.1(2) . . . . ?
C18 C11 C12 N1 -14.7(3) . . . . ?
C10 C11 C12 N1 164.86(16) . . . . ?
C16 C9 C14 O1 122.64(19) . . . . ?
C8 C9 C14 O1 -113.62(19) . . . . ?
C10 C9 C14 O1 7.0(2) . . . . ?
C16 C9 C14 O2 -57.72(17) . . . . ?
C8 C9 C14 O2 66.02(17) . . . . ?
C10 C9 C14 O2 -173.37(14) . . . . ?
C14 C9 C16 O4 -68.1(2) . . . . ?
C8 C9 C16 O4 171.73(17) . . . . ?
C10 C9 C16 O4 49.1(2) . . . . ?
C14 C9 C16 O3 110.69(16) . . . . ?
C8 C9 C16 O3 -9.5(2) . . . . ?
C10 C9 C16 O3 -132.18(15) . . . . ?
C12 C11 C18 C19 177.06(16) . . . . ?
C10 C11 C18 C19 -2.4(3) . . . . ?
C11 C18 C19 C20 179.30(18) . . . . ?
C18 C19 C20 C21 179.83(17) . . . . ?
C19 C20 C21 O5 3.1(3) . . . . ?
C19 C20 C21 O6 -175.69(16) . . . . ?
C2 C1 N1 C12 -179.88(17) . . . . ?
C6 C1 N1 C12 0.43(18) . . . . ?
C2 C1 N1 C13 6.2(3) . . . . ?
C6 C1 N1 C13 -173.49(16) . . . . ?
C7 C12 N1 C1 0.57(19) . . . . ?
C11 C12 N1 C1 -176.74(16) . . . . ?
C7 C12 N1 C13 174.09(16) . . . . ?
C11 C12 N1 C13 -3.2(3) . . . . ?
O1 C14 O2 C15 -1.5(3) . . . . ?
C9 C14 O2 C15 178.82(15) . . . . ?
O4 C16 O3 C17 4.9(3) . . . . ?
C9 C16 O3 C17 -173.79(18) . . . . ?
O5 C21 O6 C22 4.6(3) . . . . ?
C20 C21 O6 C22 -176.60(15) . . . . ?
C23 C22 O6 C21 -177.00(16) . . . . ?

_refine_diff_density_max         0.204
_refine_diff_density_min         -0.189
_refine_diff_density_rms         0.042



