# Electronic Supplementary Material (ESI) for ChemComm.
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2120209'
loop_
_audit_author_name
_audit_author_address
'zhongwen sun'
;Kunming Medical University
China
;
_audit_update_record             
;
2021-11-04 deposited with the CCDC.	2022-02-01 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            'C22 H25 N O5'
_chemical_formula_weight         383.43

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      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                   9.7745(14)
_cell_length_b                   9.5549(14)
_cell_length_c                   11.5736(17)
_cell_angle_alpha                90
_cell_angle_beta                 91.267(9)
_cell_angle_gamma                90
_cell_volume                     1080.6(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5276
_cell_measurement_theta_min      3.8203
_cell_measurement_theta_max      64.9880

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_F_000             408
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    0.682
_shelx_estimated_absorpt_T_min   0.864
_shelx_estimated_absorpt_T_max   0.899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  graphite
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean 'phi and omega scans'
_diffrn_reflns_number            9944
_diffrn_reflns_av_unetI/netI     0.1145
_diffrn_reflns_av_R_equivalents  0.0909
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.820
_diffrn_reflns_theta_max         65.403
_diffrn_reflns_theta_full        65.403
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_point_group_measured_fraction_full 0.955
_reflns_number_total             3553
_reflns_number_gt                2618
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.836
_reflns_Friedel_fraction_max     0.932
_reflns_Friedel_fraction_full    0.932

_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.1745P)²+0.0010P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.040(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 798 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.03(17)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         3553
_refine_ls_number_parameters     258
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0811
_refine_ls_wR_factor_ref         0.2647
_refine_ls_wR_factor_gt          0.2370
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.135
_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
C1 C 0.5301(16) 0.6515(15) 1.2394(8) 0.140(4) Uani 1 1 d . . . . .
H1A H 0.4358 0.6728 1.2529 0.210 Uiso 1 1 calc R U . . .
H1B H 0.5870 0.6999 1.2951 0.210 Uiso 1 1 calc R U . . .
H1C H 0.5444 0.5525 1.2469 0.210 Uiso 1 1 calc R U . . .
C2 C 0.4804(10) 0.6608(9) 1.0354(6) 0.093(2) Uani 1 1 d . . . . .
C3 C 0.3680(11) 0.5811(11) 1.0423(8) 0.108(3) Uani 1 1 d . . . . .
H3 H 0.3399 0.5492 1.1139 0.129 Uiso 1 1 calc R U . . .
C4 C 0.2918(10) 0.5454(14) 0.9407(8) 0.116(3) Uani 1 1 d . . . . .
H4 H 0.2160 0.4868 0.9448 0.139 Uiso 1 1 calc R U . . .
C5 C 0.3320(8) 0.5993(11) 0.8347(7) 0.097(2) Uani 1 1 d . . . . .
C6 C 0.4478(14) 0.6787(15) 0.8331(8) 0.129(4) Uani 1 1 d . . . . .
H6 H 0.4751 0.7160 0.7631 0.155 Uiso 1 1 calc R U . . .
C7 C 0.5246(15) 0.7053(13) 0.9289(8) 0.129(4) Uani 1 1 d . . . . .
H7 H 0.6068 0.7535 0.9233 0.155 Uiso 1 1 calc R U . . .
C8 C 0.2503(11) 0.5681(13) 0.7263(8) 0.113(3) Uani 1 1 d . U . . .
H8A H 0.1555 0.5496 0.7441 0.135 Uiso 1 1 calc R U . . .
H8B H 0.2536 0.6465 0.6732 0.135 Uiso 1 1 calc R U . . .
C9 C 0.3177(5) 0.4616(6) 0.4774(4) 0.0596(13) Uani 1 1 d . . . . .
H9 H 0.3313 0.5630 0.4836 0.071 Uiso 1 1 calc R U . . .
C10 C 0.2344(6) 0.4307(6) 0.3735(5) 0.0697(14) Uani 1 1 d . . . . .
C11 C 0.1596(7) 0.4151(7) 0.2922(5) 0.0761(16) Uani 1 1 d . . . . .
C12 C 0.0605(8) 0.4040(9) 0.1983(5) 0.091(2) Uani 1 1 d . . . . .
C13 C -0.0438(12) 0.5061(15) 0.1907(9) 0.128(4) Uani 1 1 d . . . . .
H13 H -0.0444 0.5793 0.2436 0.153 Uiso 1 1 calc R U . . .
C14 C -0.1471(14) 0.499(2) 0.1039(12) 0.167(7) Uani 1 1 d . . . . .
H14 H -0.2183 0.5630 0.0995 0.201 Uiso 1 1 calc R U . . .
C15 C -0.1367(16) 0.391(2) 0.0270(9) 0.153(6) Uani 1 1 d . . . . .
H15 H -0.2026 0.3836 -0.0318 0.184 Uiso 1 1 calc R U . . .
C16 C -0.0372(14) 0.2980(18) 0.0322(12) 0.147(5) Uani 1 1 d . . . . .
H16 H -0.0318 0.2289 -0.0242 0.176 Uiso 1 1 calc R U . . .
C17 C 0.0600(13) 0.3030(13) 0.1225(8) 0.123(3) Uani 1 1 d . . . . .
H17 H 0.1257 0.2329 0.1287 0.148 Uiso 1 1 calc R U . . .
C18 C 0.5612(5) 0.4631(5) 0.5219(4) 0.0531(12) Uani 1 1 d . . . . .
C19 C 0.7998(6) 0.4235(7) 0.5813(6) 0.0763(16) Uani 1 1 d . U . . .
C20 C 0.8584(10) 0.5291(11) 0.5055(8) 0.111(3) Uani 1 1 d . U . . .
H20A H 0.8123 0.5263 0.4314 0.166 Uiso 1 1 calc R U . . .
H20B H 0.9540 0.5102 0.4961 0.166 Uiso 1 1 calc R U . . .
H20C H 0.8475 0.6202 0.5391 0.166 Uiso 1 1 calc R U . . .
C21 C 0.8812(10) 0.2930(10) 0.5848(8) 0.103(2) Uani 1 1 d . U . . .
H21A H 0.8804 0.2511 0.5094 0.155 Uiso 1 1 calc R U . . .
H21B H 0.8422 0.2290 0.6389 0.155 Uiso 1 1 calc R U . . .
H21C H 0.9737 0.3141 0.6083 0.155 Uiso 1 1 calc R U . . .
C22 C 0.7803(12) 0.4822(14) 0.7023(9) 0.129(4) Uani 1 1 d . . . . .
H22A H 0.8667 0.5144 0.7332 0.193 Uiso 1 1 calc R U . . .
H22B H 0.7450 0.4104 0.7514 0.193 Uiso 1 1 calc R U . . .
H22C H 0.7170 0.5590 0.6986 0.193 Uiso 1 1 calc R U . . .
N1 N 0.4489(4) 0.3931(4) 0.4770(4) 0.0591(12) Uani 1 1 d . . . . .
H1 H 0.4569 0.3101 0.4493 0.071 Uiso 1 1 calc R U . . .
O1 O 0.5638(9) 0.6942(9) 1.1278(5) 0.131(3) Uani 1 1 d . . . . .
O2 O 0.3112(5) 0.4492(6) 0.6779(4) 0.0871(14) Uani 1 1 d . . . . .
O3 O 0.2359(4) 0.4152(5) 0.5702(3) 0.0792(13) Uani 1 1 d . . . . .
O4 O 0.6640(4) 0.3736(4) 0.5381(4) 0.0652(11) Uani 1 1 d . . . . .
O5 O 0.5638(4) 0.5868(4) 0.5406(4) 0.0700(11) 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 O1 1.401(13) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.340(13) . ?
C2 O1 1.368(10) . ?
C2 C7 1.382(13) . ?
C3 C4 1.420(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.396(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.363(15) . ?
C5 C8 1.502(11) . ?
C6 C7 1.348(14) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 O2 1.405(11) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 O3 1.424(7) . ?
C9 N1 1.439(7) . ?
C9 C10 1.468(7) . ?
C9 H9 0.9800 . ?
C10 C11 1.187(8) . ?
C11 C12 1.443(8) . ?
C12 C17 1.304(14) . ?
C12 C13 1.412(15) . ?
C13 C14 1.410(15) . ?
C13 H13 0.9300 . ?
C14 C15 1.36(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.32(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.398(16) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 O5 1.202(7) . ?
C18 O4 1.329(6) . ?
C18 N1 1.377(6) . ?
C19 C20 1.463(12) . ?
C19 C21 1.479(12) . ?
C19 O4 1.486(7) . ?
C19 C22 1.525(13) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
N1 H1 0.8600 . ?
O2 O3 1.470(5) . ?

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
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 O1 124.1(7) . . ?
C3 C2 C7 120.1(8) . . ?
O1 C2 C7 115.7(8) . . ?
C2 C3 C4 120.2(8) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 119.1(9) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C6 C5 C4 117.9(8) . . ?
C6 C5 C8 121.7(9) . . ?
C4 C5 C8 120.4(9) . . ?
C7 C6 C5 122.8(10) . . ?
C7 C6 H6 118.6 . . ?
C5 C6 H6 118.6 . . ?
C6 C7 C2 119.7(11) . . ?
C6 C7 H7 120.1 . . ?
C2 C7 H7 120.1 . . ?
O2 C8 C5 105.7(7) . . ?
O2 C8 H8A 110.6 . . ?
C5 C8 H8A 110.6 . . ?
O2 C8 H8B 110.6 . . ?
C5 C8 H8B 110.6 . . ?
H8A C8 H8B 108.7 . . ?
O3 C9 N1 112.1(4) . . ?
O3 C9 C10 104.1(4) . . ?
N1 C9 C10 112.6(5) . . ?
O3 C9 H9 109.3 . . ?
N1 C9 H9 109.3 . . ?
C10 C9 H9 109.3 . . ?
C11 C10 C9 174.2(6) . . ?
C10 C11 C12 175.1(8) . . ?
C17 C12 C13 118.4(9) . . ?
C17 C12 C11 123.6(9) . . ?
C13 C12 C11 117.9(8) . . ?
C14 C13 C12 120.9(14) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 116.2(15) . . ?
C15 C14 H14 121.9 . . ?
C13 C14 H14 121.9 . . ?
C16 C15 C14 123.0(11) . . ?
C16 C15 H15 118.5 . . ?
C14 C15 H15 118.5 . . ?
C15 C16 C17 119.9(13) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C12 C17 C16 121.4(12) . . ?
C12 C17 H17 119.3 . . ?
C16 C17 H17 119.3 . . ?
O5 C18 O4 126.4(5) . . ?
O5 C18 N1 124.0(4) . . ?
O4 C18 N1 109.6(4) . . ?
C20 C19 C21 112.4(7) . . ?
C20 C19 O4 112.3(6) . . ?
C21 C19 O4 102.4(6) . . ?
C20 C19 C22 110.8(8) . . ?
C21 C19 C22 111.3(7) . . ?
O4 C19 C22 107.3(7) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 N1 C9 118.7(4) . . ?
C18 N1 H1 120.6 . . ?
C9 N1 H1 120.6 . . ?
C2 O1 C1 120.3(9) . . ?
C8 O2 O3 108.0(5) . . ?
C9 O3 O2 106.9(4) . . ?
C18 O4 C19 120.5(4) . . ?

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
O1 C2 C3 C4 -176.5(10) . . . . ?
C7 C2 C3 C4 -1.8(16) . . . . ?
C2 C3 C4 C5 -2.8(17) . . . . ?
C3 C4 C5 C6 3.3(17) . . . . ?
C3 C4 C5 C8 -177.6(10) . . . . ?
C4 C5 C6 C7 0.7(19) . . . . ?
C8 C5 C6 C7 -178.4(12) . . . . ?
C5 C6 C7 C2 -5(2) . . . . ?
C3 C2 C7 C6 5.8(18) . . . . ?
O1 C2 C7 C6 -179.1(12) . . . . ?
C6 C5 C8 O2 86.0(12) . . . . ?
C4 C5 C8 O2 -93.1(11) . . . . ?
C17 C12 C13 C14 0.6(15) . . . . ?
C11 C12 C13 C14 -177.4(10) . . . . ?
C12 C13 C14 C15 -2.3(19) . . . . ?
C13 C14 C15 C16 1(2) . . . . ?
C14 C15 C16 C17 3(2) . . . . ?
C13 C12 C17 C16 2.9(15) . . . . ?
C11 C12 C17 C16 -179.2(10) . . . . ?
C15 C16 C17 C12 -5(2) . . . . ?
O5 C18 N1 C9 -15.4(7) . . . . ?
O4 C18 N1 C9 165.9(4) . . . . ?
O3 C9 N1 C18 -100.1(5) . . . . ?
C10 C9 N1 C18 142.9(5) . . . . ?
C3 C2 O1 C1 -3.7(16) . . . . ?
C7 C2 O1 C1 -178.6(11) . . . . ?
C5 C8 O2 O3 -179.3(7) . . . . ?
N1 C9 O3 O2 60.6(5) . . . . ?
C10 C9 O3 O2 -177.4(4) . . . . ?
C8 O2 O3 C9 103.2(7) . . . . ?
O5 C18 O4 C19 -1.3(8) . . . . ?
N1 C18 O4 C19 177.3(5) . . . . ?
C20 C19 O4 C18 -58.5(8) . . . . ?
C21 C19 O4 C18 -179.3(5) . . . . ?
C22 C19 O4 C18 63.5(8) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O5 0.86 2.15 2.937(6) 152.5 2_646
C22 H22C O5 0.96 2.35 2.968(10) 121.3 .
C1 H1B O2 0.96 2.60 3.369(15) 137.5 2_657
N1 H1 O5 0.86 2.15 2.937(6) 152.5 2_646
C22 H22C O5 0.96 2.35 2.968(10) 121.3 .
C1 H1B O2 0.96 2.60 3.369(15) 137.5 2_657
C1 H1B O2 0.96 2.60 3.369(15) 137.5 2_657
C22 H22C O5 0.96 2.35 2.968(10) 121.3 .
N1 H1 O5 0.86 2.15 2.937(6) 152.5 2_646
C1 H1B O2 0.96 2.60 3.369(15) 137.5 2_657
C22 H22C O5 0.96 2.35 2.968(10) 121.3 .
N1 H1 O5 0.86 2.15 2.937(6) 152.5 2_646
C1 H1B O2 0.96 2.60 3.369(15) 137.5 2_657
C22 H22C O5 0.96 2.35 2.968(10) 121.3 .
N1 H1 O5 0.86 2.15 2.937(6) 152.5 2_646
C1 H1B O2 0.96 2.60 3.369(15) 137.5 2_657
C22 H22C O5 0.96 2.35 2.968(10) 121.3 .
N1 H1 O5 0.86 2.15 2.937(6) 152.5 2_646
C1 H1B O2 0.96 2.60 3.369(15) 137.5 2_657
C22 H22C O5 0.96 2.35 2.968(10) 121.3 .
N1 H1 O5 0.86 2.15 2.937(6) 152.5 2_646

_refine_diff_density_max         0.422
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.054

