# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_ga_230417b_a
_audit_block_doi                 10.5517/ccdc.csd.cc2h9ffp
_database_code_depnum_ccdc_archive 'CCDC 2302972'
loop_
_audit_author_name
_audit_author_address
'sheng zuo'
;Fudan university 
China
;
_audit_update_record             
;
2023-10-23 deposited with the CCDC.	2024-04-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H25 N O4'
_chemical_formula_weight         391.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   8.0358(3)
_cell_length_b                   10.9125(4)
_cell_length_c                   12.2549(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.7150(10)
_cell_angle_gamma                90
_cell_volume                     1074.56(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3056
_cell_measurement_theta_min      3.93
_cell_measurement_theta_max      51.50

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_F_000             416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    0.422
_shelx_estimated_absorpt_T_min   0.917
_shelx_estimated_absorpt_T_max   0.943
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_T_max  0.864
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\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            15052
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         4.788
_diffrn_reflns_theta_max         54.927
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             4049
_reflns_number_gt                3944
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.888
_reflns_Friedel_fraction_max     0.986
_reflns_Friedel_fraction_full    0.986

_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 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_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)+(0.0393P)²+0.1669P] 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-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.0100(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
 Flack x determined using 1818 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.09(5)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         4049
_refine_ls_number_parameters     297
_refine_ls_number_restraints     44
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0295
_refine_ls_wR_factor_ref         0.0793
_refine_ls_wR_factor_gt          0.0780
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.002
_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
N1 N 0.74673(18) 0.49473(15) 0.24123(13) 0.0304(3) Uani 1 1 d . . . . .
O1 O 0.76537(19) 0.31256(13) 0.34135(13) 0.0431(4) Uani 1 1 d . . . . .
O2 O 0.53048(16) 0.55458(14) 0.57686(11) 0.0371(3) Uani 1 1 d . . . . .
O3 O 0.7054(2) 0.33934(15) 0.12638(13) 0.0550(4) Uani 1 1 d . . . . .
O4 O 0.7997(3) 0.51639(19) 0.06028(14) 0.0754(7) Uani 1 1 d . . . . .
C1 C 0.7502(2) 0.42257(18) 0.33668(16) 0.0316(4) Uani 1 1 d . . . . .
C2 C 0.5541(2) 0.48108(17) 0.48289(15) 0.0306(4) Uani 1 1 d . . . . .
H2 H 0.550211 0.393029 0.505324 0.037 Uiso 1 1 calc R U . . .
C3 C 0.7295(2) 0.50780(17) 0.43366(15) 0.0296(4) Uani 1 1 d . . . . .
C4 C 0.8628(2) 0.48029(19) 0.52239(16) 0.0363(4) Uani 1 1 d . . . . .
H4A H 0.871309 0.390573 0.533067 0.044 Uiso 1 1 calc R U . . .
H4B H 0.972253 0.510452 0.497761 0.044 Uiso 1 1 calc R U . . .
C5 C 0.8205(3) 0.5403(2) 0.62921(17) 0.0414(5) Uani 1 1 d . . . . .
C6 C 0.6441(3) 0.5196(2) 0.66265(17) 0.0446(5) Uani 1 1 d . . . . .
H6A H 0.627863 0.431985 0.680430 0.054 Uiso 1 1 calc R U . . .
H6B H 0.620742 0.568225 0.728944 0.054 Uiso 1 1 calc R U . . .
C7 C 0.7408(2) 0.63272(18) 0.38308(15) 0.0286(4) Uani 1 1 d . . . . .
C8 C 0.7488(2) 0.62151(18) 0.27009(15) 0.0298(4) Uani 1 1 d . . . . .
C9 C 0.7605(2) 0.72249(19) 0.20260(17) 0.0365(4) Uani 1 1 d . . . . .
H9 H 0.765472 0.713754 0.125579 0.044 Uiso 1 1 calc R U . . .
C10 C 0.7648(2) 0.8373(2) 0.25162(18) 0.0400(5) Uani 1 1 d . . . . .
H10 H 0.772114 0.908343 0.207109 0.048 Uiso 1 1 calc R U . . .
C11 C 0.7586(2) 0.85055(19) 0.36408(18) 0.0371(4) Uani 1 1 d . . . . .
H11 H 0.762828 0.929980 0.395733 0.044 Uiso 1 1 calc R U . . .
C12 C 0.7462(2) 0.74770(17) 0.43063(17) 0.0328(4) Uani 1 1 d . . . . .
H12 H 0.741490 0.756306 0.507668 0.039 Uiso 1 1 calc R U . . .
C13 C 0.4126(2) 0.50460(17) 0.40308(15) 0.0301(4) Uani 1 1 d . . . . .
C14 C 0.3221(2) 0.61322(19) 0.40514(17) 0.0360(4) Uani 1 1 d . . . . .
H14 H 0.346142 0.673324 0.459164 0.043 Uiso 1 1 calc R U . . .
C15 C 0.1963(3) 0.6340(2) 0.32808(19) 0.0438(5) Uani 1 1 d . . . . .
H15 H 0.134496 0.708174 0.329803 0.053 Uiso 1 1 calc R U . . .
C16 C 0.1612(2) 0.5470(2) 0.24912(18) 0.0432(5) Uani 1 1 d . . . . .
H16 H 0.076930 0.562079 0.195723 0.052 Uiso 1 1 calc R U . . .
C17 C 0.2485(3) 0.4381(2) 0.24792(18) 0.0435(5) Uani 1 1 d . . . . .
H17 H 0.223223 0.377848 0.194260 0.052 Uiso 1 1 calc R U . . .
C18 C 0.3734(3) 0.41635(19) 0.32500(16) 0.0369(4) Uani 1 1 d . . . . .
H18 H 0.432200 0.340845 0.324364 0.044 Uiso 1 1 calc R U . . .
C19 C 0.9266(3) 0.6059(3) 0.6880(2) 0.0565(6) Uani 1 1 d . . . . .
H19A H 0.892111 0.642190 0.754419 0.068 Uiso 1 1 calc R U . . .
H19B H 1.037532 0.616783 0.663822 0.068 Uiso 1 1 calc R U . . .
C20 C 0.7535(3) 0.4523(2) 0.13340(17) 0.0366(4) Uani 1 1 d . . . . .
C21 C 0.7263(3) 0.2684(2) 0.02429(19) 0.0506(6) Uani 1 1 d D . . . .
C22 C 0.6381(17) 0.3221(9) -0.0729(11) 0.058(2) Uani 0.56(3) 1 d . U P A 1
H22A H 0.525501 0.346840 -0.052416 0.088 Uiso 0.56(3) 1 calc R U P A 1
H22B H 0.631459 0.260711 -0.131201 0.088 Uiso 0.56(3) 1 calc R U P A 1
H22C H 0.699598 0.393764 -0.098707 0.088 Uiso 0.56(3) 1 calc R U P A 1
C23 C 0.903(2) 0.2488(19) 0.0143(13) 0.104(6) Uani 0.56(3) 1 d . U P A 1
H23A H 0.956846 0.325763 -0.006747 0.156 Uiso 0.56(3) 1 calc R U P A 1
H23B H 0.923314 0.186490 -0.041510 0.156 Uiso 0.56(3) 1 calc R U P A 1
H23C H 0.949225 0.221040 0.084471 0.156 Uiso 0.56(3) 1 calc R U P A 1
C24 C 0.622(3) 0.1507(10) 0.0507(9) 0.085(3) Uani 0.56(3) 1 d . U P A 1
H24A H 0.665649 0.112886 0.117765 0.127 Uiso 0.56(3) 1 calc R U P A 1
H24B H 0.630975 0.092355 -0.009805 0.127 Uiso 0.56(3) 1 calc R U P A 1
H24C H 0.505462 0.173271 0.060504 0.127 Uiso 0.56(3) 1 calc R U P A 1
C24' C 0.718(4) 0.1391(14) 0.0617(12) 0.092(5) Uani 0.44(3) 1 d . U P A 2
H24D H 0.807228 0.123686 0.115143 0.139 Uiso 0.44(3) 1 calc R U P A 2
H24E H 0.731152 0.084175 -0.000923 0.139 Uiso 0.44(3) 1 calc R U P A 2
H24F H 0.609976 0.123984 0.095471 0.139 Uiso 0.44(3) 1 calc R U P A 2
C23' C 0.904(2) 0.288(2) -0.0242(19) 0.091(6) Uani 0.44(3) 1 d D U P A 2
H23D H 0.917785 0.373733 -0.044375 0.136 Uiso 0.44(3) 1 calc R U P A 2
H23E H 0.915963 0.235930 -0.089049 0.136 Uiso 0.44(3) 1 calc R U P A 2
H23F H 0.988125 0.264825 0.030506 0.136 Uiso 0.44(3) 1 calc R U P A 2
C22' C 0.597(3) 0.319(2) -0.0500(19) 0.106(7) Uani 0.44(3) 1 d . U P A 2
H22D H 0.489839 0.320144 -0.013104 0.159 Uiso 0.44(3) 1 calc R U P A 2
H22E H 0.588978 0.268521 -0.115805 0.159 Uiso 0.44(3) 1 calc R U P A 2
H22F H 0.627657 0.403193 -0.070445 0.159 Uiso 0.44(3) 1 calc R U P A 2


_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
N1 C20 1.402(3) . ?
N1 C1 1.410(2) . ?
N1 C8 1.428(2) . ?
O1 C1 1.208(2) . ?
O2 C2 1.418(2) . ?
O2 C6 1.435(2) . ?
O3 C20 1.295(3) . ?
O3 C21 1.483(3) . ?
O4 C20 1.199(3) . ?
C1 C3 1.520(3) . ?
C2 C13 1.512(3) . ?
C2 C3 1.568(2) . ?
C3 C7 1.501(3) . ?
C3 C4 1.546(2) . ?
C4 C5 1.506(3) . ?
C5 C19 1.320(3) . ?
C5 C6 1.498(3) . ?
C7 C12 1.384(3) . ?
C7 C8 1.392(3) . ?
C8 C9 1.382(3) . ?
C9 C10 1.390(3) . ?
C10 C11 1.387(3) . ?
C11 C12 1.392(3) . ?
C13 C18 1.391(3) . ?
C13 C14 1.391(3) . ?
C14 C15 1.394(3) . ?
C15 C16 1.383(3) . ?
C16 C17 1.380(3) . ?
C17 C18 1.390(3) . ?
C21 C23 1.443(16) . ?
C21 C22' 1.48(2) . ?
C21 C24' 1.485(16) . ?
C21 C22 1.498(12) . ?
C21 C23' 1.565(15) . ?
C21 C24 1.568(13) . ?

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
C20 N1 C1 126.67(17) . . ?
C20 N1 C8 123.55(16) . . ?
C1 N1 C8 109.60(15) . . ?
C2 O2 C6 110.76(15) . . ?
C20 O3 C21 121.11(18) . . ?
O1 C1 N1 126.52(18) . . ?
O1 C1 C3 125.67(18) . . ?
N1 C1 C3 107.81(15) . . ?
O2 C2 C13 108.81(15) . . ?
O2 C2 C3 109.70(14) . . ?
C13 C2 C3 113.07(15) . . ?
C7 C3 C1 103.01(15) . . ?
C7 C3 C4 114.97(15) . . ?
C1 C3 C4 110.48(15) . . ?
C7 C3 C2 112.76(14) . . ?
C1 C3 C2 107.13(15) . . ?
C4 C3 C2 108.15(15) . . ?
C5 C4 C3 111.42(16) . . ?
C19 C5 C6 122.7(2) . . ?
C19 C5 C4 124.0(2) . . ?
C6 C5 C4 113.37(17) . . ?
O2 C6 C5 110.80(17) . . ?
C12 C7 C8 119.79(18) . . ?
C12 C7 C3 130.65(17) . . ?
C8 C7 C3 109.56(16) . . ?
C9 C8 C7 121.98(18) . . ?
C9 C8 N1 128.68(18) . . ?
C7 C8 N1 109.32(16) . . ?
C8 C9 C10 117.50(19) . . ?
C11 C10 C9 121.5(2) . . ?
C10 C11 C12 120.1(2) . . ?
C7 C12 C11 119.12(19) . . ?
C18 C13 C14 119.23(18) . . ?
C18 C13 C2 119.31(17) . . ?
C14 C13 C2 121.45(17) . . ?
C13 C14 C15 120.09(19) . . ?
C16 C15 C14 120.2(2) . . ?
C17 C16 C15 119.96(19) . . ?
C16 C17 C18 120.2(2) . . ?
C17 C18 C13 120.3(2) . . ?
O4 C20 O3 126.9(2) . . ?
O4 C20 N1 121.9(2) . . ?
O3 C20 N1 111.21(18) . . ?
C23 C21 O3 105.7(6) . . ?
C22' C21 O3 103.7(9) . . ?
C22' C21 C24' 120.9(12) . . ?
O3 C21 C24' 103.3(6) . . ?
C23 C21 C22 116.6(7) . . ?
O3 C21 C22 114.2(5) . . ?
C22' C21 C23' 110.5(10) . . ?
O3 C21 C23' 111.3(6) . . ?
C24' C21 C23' 106.8(10) . . ?
C23 C21 C24 115.1(8) . . ?
O3 C21 C24 100.8(4) . . ?
C22 C21 C24 103.7(7) . . ?

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
C20 N1 C1 O1 2.8(3) . . . . ?
C8 N1 C1 O1 -172.50(18) . . . . ?
C20 N1 C1 C3 -176.68(16) . . . . ?
C8 N1 C1 C3 8.06(19) . . . . ?
C6 O2 C2 C13 169.62(15) . . . . ?
C6 O2 C2 C3 -66.21(19) . . . . ?
O1 C1 C3 C7 172.32(18) . . . . ?
N1 C1 C3 C7 -8.24(18) . . . . ?
O1 C1 C3 C4 49.0(3) . . . . ?
N1 C1 C3 C4 -131.53(16) . . . . ?
O1 C1 C3 C2 -68.5(2) . . . . ?
N1 C1 C3 C2 110.89(16) . . . . ?
O2 C2 C3 C7 -69.82(19) . . . . ?
C13 C2 C3 C7 51.8(2) . . . . ?
O2 C2 C3 C1 177.55(14) . . . . ?
C13 C2 C3 C1 -60.80(19) . . . . ?
O2 C2 C3 C4 58.45(19) . . . . ?
C13 C2 C3 C4 -179.90(15) . . . . ?
C7 C3 C4 C5 78.0(2) . . . . ?
C1 C3 C4 C5 -165.91(17) . . . . ?
C2 C3 C4 C5 -49.0(2) . . . . ?
C3 C4 C5 C19 -131.5(2) . . . . ?
C3 C4 C5 C6 47.9(2) . . . . ?
C2 O2 C6 C5 62.8(2) . . . . ?
C19 C5 C6 O2 126.2(2) . . . . ?
C4 C5 C6 O2 -53.2(2) . . . . ?
C1 C3 C7 C12 -173.36(17) . . . . ?
C4 C3 C7 C12 -53.1(2) . . . . ?
C2 C3 C7 C12 71.5(2) . . . . ?
C1 C3 C7 C8 5.66(18) . . . . ?
C4 C3 C7 C8 125.91(17) . . . . ?
C2 C3 C7 C8 -109.48(16) . . . . ?
C12 C7 C8 C9 -0.6(2) . . . . ?
C3 C7 C8 C9 -179.78(16) . . . . ?
C12 C7 C8 N1 178.05(15) . . . . ?
C3 C7 C8 N1 -1.09(19) . . . . ?
C20 N1 C8 C9 -1.3(3) . . . . ?
C1 N1 C8 C9 174.10(17) . . . . ?
C20 N1 C8 C7 -179.91(16) . . . . ?
C1 N1 C8 C7 -4.48(19) . . . . ?
C7 C8 C9 C10 0.2(3) . . . . ?
N1 C8 C9 C10 -178.17(18) . . . . ?
C8 C9 C10 C11 0.4(3) . . . . ?
C9 C10 C11 C12 -0.6(3) . . . . ?
C8 C7 C12 C11 0.4(2) . . . . ?
C3 C7 C12 C11 179.31(18) . . . . ?
C10 C11 C12 C7 0.2(3) . . . . ?
O2 C2 C13 C18 -157.21(16) . . . . ?
C3 C2 C13 C18 80.6(2) . . . . ?
O2 C2 C13 C14 23.6(2) . . . . ?
C3 C2 C13 C14 -98.6(2) . . . . ?
C18 C13 C14 C15 -1.5(3) . . . . ?
C2 C13 C14 C15 177.75(17) . . . . ?
C13 C14 C15 C16 -0.2(3) . . . . ?
C14 C15 C16 C17 1.3(3) . . . . ?
C15 C16 C17 C18 -0.9(3) . . . . ?
C16 C17 C18 C13 -0.8(3) . . . . ?
C14 C13 C18 C17 1.9(3) . . . . ?
C2 C13 C18 C17 -177.30(18) . . . . ?
C21 O3 C20 O4 9.3(4) . . . . ?
C21 O3 C20 N1 -170.42(19) . . . . ?
C1 N1 C20 O4 -157.0(2) . . . . ?
C8 N1 C20 O4 17.6(3) . . . . ?
C1 N1 C20 O3 22.7(3) . . . . ?
C8 N1 C20 O3 -162.68(17) . . . . ?
C20 O3 C21 C23 69.6(9) . . . . ?
C20 O3 C21 C22' -73.7(11) . . . . ?
C20 O3 C21 C24' 159.4(12) . . . . ?
C20 O3 C21 C22 -59.8(6) . . . . ?
C20 O3 C21 C23' 45.2(13) . . . . ?
C20 O3 C21 C24 -170.2(8) . . . . ?

_refine_diff_density_max         0.321
_refine_diff_density_min         -0.186
_refine_diff_density_rms         0.027

