# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_khc1712h
_database_code_depnum_ccdc_archive 'CCDC 2220178'
loop_
_audit_author_name
_audit_author_address
'Behrouz Notash'
;Shahid Beheshti University
Iran
;
_audit_update_record             
;
2022-11-16 deposited with the CCDC.	2023-04-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H24 N2 O5'
_chemical_formula_sum            'C24 H24 N2 O5'
_chemical_formula_weight         420.45

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   7.1923(14)
_cell_length_b                   9.941(2)
_cell_length_c                   15.929(3)
_cell_angle_alpha                107.89(3)
_cell_angle_beta                 92.67(3)
_cell_angle_gamma                90.21(3)
_cell_volume                     1082.5(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3807
_cell_measurement_theta_min      2.15
_cell_measurement_theta_max      25.00

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.4
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             444
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_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  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8186
_diffrn_reflns_av_R_equivalents  0.1154
_diffrn_reflns_av_sigmaI/netI    0.0853
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3807
_reflns_number_gt                2479
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-Area (Stoe & Cie GmbH, 2005)'
_computing_cell_refinement       'X-Area (Stoe & Cie GmbH, 2005)'
_computing_data_reduction        'X-Area (Stoe & Cie GmbH, 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_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)+(0.0843P)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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3807
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0941
_refine_ls_R_factor_gt           0.0594
_refine_ls_wR_factor_ref         0.1547
_refine_ls_wR_factor_gt          0.1398
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_restrained_S_all      0.959
_refine_ls_shift/su_max          0.048
_refine_ls_shift/su_mean         0.001

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 0.7841(3) 0.31027(17) 0.33588(11) 0.0531(5) Uani 1 1 d . . .
O2 O 0.7242(3) 0.80002(19) 0.46542(11) 0.0725(6) Uani 1 1 d . . .
O3 O 0.7639(3) 0.93289(17) 0.37825(11) 0.0650(6) Uani 1 1 d . . .
O4 O 0.4310(3) 0.8169(2) 0.15290(14) 0.0807(7) Uani 1 1 d . . .
O5 O 0.3985(3) 0.8877(2) 0.29796(14) 0.0883(8) Uani 1 1 d . . .
N1 N 0.7669(3) 0.56377(18) 0.29937(11) 0.0401(5) Uani 1 1 d . . .
N2 N 0.4661(3) 0.4918(2) 0.10268(12) 0.0461(5) Uani 1 1 d . . .
C1 C 0.7413(3) 0.3238(2) 0.18743(15) 0.0434(6) Uani 1 1 d . . .
C2 C 0.7404(4) 0.2530(3) 0.09664(17) 0.0558(7) Uani 1 1 d . . .
H2 H 0.7166 0.3027 0.0566 0.067 Uiso 1 1 calc R . .
C3 C 0.7745(5) 0.1110(3) 0.0664(2) 0.0771(9) Uani 1 1 d . . .
H3 H 0.7729 0.0652 0.0059 0.093 Uiso 1 1 calc R . .
C4 C 0.8109(5) 0.0356(3) 0.1243(3) 0.0893(11) Uani 1 1 d . . .
H4 H 0.8333 -0.0608 0.1031 0.107 Uiso 1 1 calc R . .
C5 C 0.8143(5) 0.1029(3) 0.2140(2) 0.0720(9) Uani 1 1 d . . .
H5 H 0.8390 0.0525 0.2536 0.086 Uiso 1 1 calc R . .
C6 C 0.7810(3) 0.2449(2) 0.24417(17) 0.0494(6) Uani 1 1 d . . .
C7 C 0.9340(3) 0.4044(3) 0.36275(15) 0.0449(6) Uani 1 1 d . . .
C8 C 1.0879(4) 0.3696(3) 0.40514(17) 0.0579(7) Uani 1 1 d . . .
H8 H 1.0913 0.2830 0.4162 0.070 Uiso 1 1 calc R . .
C9 C 1.2367(4) 0.4619(3) 0.43127(17) 0.0625(8) Uani 1 1 d . . .
H9 H 1.3408 0.4383 0.4603 0.075 Uiso 1 1 calc R . .
C10 C 1.2315(4) 0.5896(3) 0.41431(16) 0.0569(7) Uani 1 1 d . . .
H10 H 1.3326 0.6522 0.4316 0.068 Uiso 1 1 calc R . .
C11 C 1.0770(3) 0.6246(3) 0.37184(15) 0.0478(6) Uani 1 1 d . . .
H11 H 1.0742 0.7109 0.3605 0.057 Uiso 1 1 calc R . .
C12 C 0.9262(3) 0.5328(2) 0.34603(13) 0.0417(6) Uani 1 1 d . . .
C13 C 0.6913(3) 0.4725(2) 0.22022(13) 0.0389(5) Uani 1 1 d . . .
C14 C 0.5730(3) 0.5484(2) 0.18334(14) 0.0405(5) Uani 1 1 d . . .
C15 C 0.2764(3) 0.4322(3) 0.10517(15) 0.0501(6) Uani 1 1 d . . .
C16 C 0.2797(4) 0.3309(4) 0.1589(2) 0.0781(9) Uani 1 1 d . . .
H16A H 0.3645 0.2563 0.1346 0.117 Uiso 1 1 calc R . .
H16B H 0.1571 0.2914 0.1575 0.117 Uiso 1 1 calc R . .
H16C H 0.3195 0.3804 0.2189 0.117 Uiso 1 1 calc R . .
C17 C 0.2180(4) 0.3571(4) 0.00935(18) 0.0773(10) Uani 1 1 d . . .
H17A H 0.2128 0.4243 -0.0230 0.116 Uiso 1 1 calc R . .
H17B H 0.0974 0.3136 0.0061 0.116 Uiso 1 1 calc R . .
H17C H 0.3067 0.2859 -0.0158 0.116 Uiso 1 1 calc R . .
C18 C 0.1413(4) 0.5495(4) 0.1433(2) 0.0728(9) Uani 1 1 d . . .
H18A H 0.1802 0.5990 0.2034 0.109 Uiso 1 1 calc R . .
H18B H 0.0189 0.5095 0.1415 0.109 Uiso 1 1 calc R . .
H18C H 0.1392 0.6141 0.1092 0.109 Uiso 1 1 calc R . .
C19 C 0.5767(3) 0.6902(2) 0.23959(15) 0.0441(6) Uani 1 1 d . . .
C20 C 0.4653(4) 0.8025(3) 0.2244(2) 0.0587(7) Uani 1 1 d . . .
C21 C 0.3003(8) 1.0093(5) 0.2867(4) 0.146(2) Uani 1 1 d . . .
H21A H 0.3099 1.0111 0.2271 0.220 Uiso 1 1 calc R . .
H21B H 0.3546 1.0945 0.3269 0.220 Uiso 1 1 calc R . .
H21C H 0.1715 1.0024 0.2986 0.220 Uiso 1 1 calc R . .
C22 C 0.6982(3) 0.6961(2) 0.31050(14) 0.0419(6) Uani 1 1 d . . .
C23 C 0.7309(4) 0.8129(2) 0.39338(16) 0.0461(6) Uani 1 1 d . . .
C24 C 0.7588(6) 1.0600(3) 0.4534(2) 0.0846(11) Uani 1 1 d . . .
H24A H 0.6325 1.0903 0.4616 0.127 Uiso 1 1 calc R . .
H24B H 0.8327 1.1332 0.4429 0.127 Uiso 1 1 calc R . .
H24C H 0.8078 1.0405 0.5055 0.127 Uiso 1 1 calc R . .
H2A H 0.455(4) 0.558(3) 0.0797(19) 0.059(9) Uiso 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
O1 C7 1.388(3) . ?
O1 C6 1.404(3) . ?
O2 C23 1.196(3) . ?
O3 C23 1.310(3) . ?
O3 C24 1.452(3) . ?
O4 C20 1.205(3) . ?
O5 C20 1.329(4) . ?
O5 C21 1.456(4) . ?
N1 C22 1.370(3) . ?
N1 C13 1.392(3) . ?
N1 C12 1.422(3) . ?
N2 C14 1.421(3) . ?
N2 C15 1.492(3) . ?
N2 H2A 0.85(3) . ?
C1 C6 1.388(3) . ?
C1 C2 1.400(3) . ?
C1 C13 1.461(3) . ?
C2 C3 1.372(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.370(4) . ?
C5 H5 0.9300 . ?
C7 C8 1.370(4) . ?
C7 C12 1.383(3) . ?
C8 C9 1.370(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.377(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.375(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(3) . ?
C11 H11 0.9300 . ?
C13 C14 1.367(3) . ?
C14 C19 1.418(3) . ?
C15 C16 1.509(4) . ?
C15 C17 1.517(3) . ?
C15 C18 1.517(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C22 1.382(3) . ?
C19 C20 1.450(4) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.475(3) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 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
C7 O1 C6 110.30(19) . . ?
C23 O3 C24 116.5(2) . . ?
C20 O5 C21 114.5(3) . . ?
C22 N1 C13 108.76(18) . . ?
C22 N1 C12 125.14(19) . . ?
C13 N1 C12 123.86(18) . . ?
C14 N2 C15 118.74(19) . . ?
C14 N2 H2A 106.5(19) . . ?
C15 N2 H2A 108(2) . . ?
C6 C1 C2 117.2(2) . . ?
C6 C1 C13 121.8(2) . . ?
C2 C1 C13 120.8(2) . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 120.8(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C5 119.9(3) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 119.3(3) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
C5 C6 C1 122.3(3) . . ?
C5 C6 O1 118.0(2) . . ?
C1 C6 O1 119.7(2) . . ?
C8 C7 C12 120.7(3) . . ?
C8 C7 O1 120.0(2) . . ?
C12 C7 O1 119.3(2) . . ?
C7 C8 C9 120.2(3) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C8 C9 C10 119.7(3) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.5(2) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C7 118.8(2) . . ?
C11 C12 N1 121.9(2) . . ?
C7 C12 N1 119.3(2) . . ?
C14 C13 N1 107.75(19) . . ?
C14 C13 C1 129.8(2) . . ?
N1 C13 C1 122.5(2) . . ?
C13 C14 C19 108.09(19) . . ?
C13 C14 N2 124.8(2) . . ?
C19 C14 N2 127.1(2) . . ?
N2 C15 C16 111.3(2) . . ?
N2 C15 C17 105.0(2) . . ?
C16 C15 C17 111.1(3) . . ?
N2 C15 C18 110.7(2) . . ?
C16 C15 C18 109.4(2) . . ?
C17 C15 C18 109.3(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C22 C19 C14 106.9(2) . . ?
C22 C19 C20 128.3(2) . . ?
C14 C19 C20 124.7(2) . . ?
O4 C20 O5 122.5(3) . . ?
O4 C20 C19 124.5(3) . . ?
O5 C20 C19 113.0(2) . . ?
O5 C21 H21A 109.5 . . ?
O5 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O5 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N1 C22 C19 108.5(2) . . ?
N1 C22 C23 122.27(19) . . ?
C19 C22 C23 128.5(2) . . ?
O2 C23 O3 124.3(2) . . ?
O2 C23 C22 124.1(2) . . ?
O3 C23 C22 111.6(2) . . ?
O3 C24 H24A 109.5 . . ?
O3 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O3 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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 C2 C3 1.1(4) . . . . ?
C13 C1 C2 C3 -175.3(3) . . . . ?
C1 C2 C3 C4 -0.3(5) . . . . ?
C2 C3 C4 C5 -0.3(6) . . . . ?
C3 C4 C5 C6 0.0(5) . . . . ?
C4 C5 C6 C1 0.8(5) . . . . ?
C4 C5 C6 O1 179.5(3) . . . . ?
C2 C1 C6 C5 -1.4(4) . . . . ?
C13 C1 C6 C5 175.0(3) . . . . ?
C2 C1 C6 O1 179.9(2) . . . . ?
C13 C1 C6 O1 -3.7(4) . . . . ?
C7 O1 C6 C5 112.8(3) . . . . ?
C7 O1 C6 C1 -68.4(3) . . . . ?
C6 O1 C7 C8 -104.6(3) . . . . ?
C6 O1 C7 C12 75.2(3) . . . . ?
C12 C7 C8 C9 -0.3(4) . . . . ?
O1 C7 C8 C9 179.6(2) . . . . ?
C7 C8 C9 C10 -0.3(4) . . . . ?
C8 C9 C10 C11 0.4(4) . . . . ?
C9 C10 C11 C12 0.1(4) . . . . ?
C10 C11 C12 C7 -0.7(3) . . . . ?
C10 C11 C12 N1 -177.8(2) . . . . ?
C8 C7 C12 C11 0.8(3) . . . . ?
O1 C7 C12 C11 -179.1(2) . . . . ?
C8 C7 C12 N1 178.0(2) . . . . ?
O1 C7 C12 N1 -1.8(3) . . . . ?
C22 N1 C12 C11 -33.5(3) . . . . ?
C13 N1 C12 C11 127.6(2) . . . . ?
C22 N1 C12 C7 149.3(2) . . . . ?
C13 N1 C12 C7 -49.6(3) . . . . ?
C22 N1 C13 C14 -1.1(3) . . . . ?
C12 N1 C13 C14 -164.8(2) . . . . ?
C22 N1 C13 C1 178.0(2) . . . . ?
C12 N1 C13 C1 14.2(3) . . . . ?
C6 C1 C13 C14 -146.8(3) . . . . ?
C2 C1 C13 C14 29.5(4) . . . . ?
C6 C1 C13 N1 34.4(3) . . . . ?
C2 C1 C13 N1 -149.3(2) . . . . ?
N1 C13 C14 C19 0.9(3) . . . . ?
C1 C13 C14 C19 -178.0(2) . . . . ?
N1 C13 C14 N2 -178.8(2) . . . . ?
C1 C13 C14 N2 2.2(4) . . . . ?
C15 N2 C14 C13 89.2(3) . . . . ?
C15 N2 C14 C19 -90.5(3) . . . . ?
C14 N2 C15 C16 -49.2(3) . . . . ?
C14 N2 C15 C17 -169.4(2) . . . . ?
C14 N2 C15 C18 72.7(3) . . . . ?
C13 C14 C19 C22 -0.4(3) . . . . ?
N2 C14 C19 C22 179.3(2) . . . . ?
C13 C14 C19 C20 -178.1(2) . . . . ?
N2 C14 C19 C20 1.7(4) . . . . ?
C21 O5 C20 O4 -7.2(5) . . . . ?
C21 O5 C20 C19 174.6(3) . . . . ?
C22 C19 C20 O4 144.7(3) . . . . ?
C14 C19 C20 O4 -38.2(4) . . . . ?
C22 C19 C20 O5 -37.2(4) . . . . ?
C14 C19 C20 O5 140.0(3) . . . . ?
C13 N1 C22 C19 0.8(3) . . . . ?
C12 N1 C22 C19 164.3(2) . . . . ?
C13 N1 C22 C23 171.5(2) . . . . ?
C12 N1 C22 C23 -25.0(4) . . . . ?
C14 C19 C22 N1 -0.2(3) . . . . ?
C20 C19 C22 N1 177.3(3) . . . . ?
C14 C19 C22 C23 -170.2(2) . . . . ?
C20 C19 C22 C23 7.3(4) . . . . ?
C24 O3 C23 O2 -11.3(4) . . . . ?
C24 O3 C23 C22 167.2(2) . . . . ?
N1 C22 C23 O2 -41.4(4) . . . . ?
C19 C22 C23 O2 127.3(3) . . . . ?
N1 C22 C23 O3 140.1(2) . . . . ?
C19 C22 C23 O3 -51.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.254
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.050
