# 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_wrj-210125wym
_database_code_depnum_ccdc_archive 'CCDC 2099592'
_audit_update_record             
;
2021-07-27 deposited with the CCDC.	2023-07-24 downloaded from the CCDC.
;
_audit_creation_date             2021-07-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C24 H23 N3 O5'
_chemical_formula_sum            'C24 H23 N3 O5'
_chemical_formula_weight         433.45
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O '
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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.1728(5)
_cell_length_b                   12.7276(3)
_cell_length_c                   19.2357(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.121(4)
_cell_angle_gamma                90.00
_cell_volume                     4177.8(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9463
_cell_measurement_temperature    299(1)
_cell_measurement_theta_max      77.5740
_cell_measurement_theta_min      4.2910
_exptl_absorpt_coefficient_mu    0.806
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0156
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13079
_diffrn_reflns_theta_full        77.78
_diffrn_reflns_theta_max         77.78
_diffrn_reflns_theta_min         4.33
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      299(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -21.00   4.00   0.50    0.50    --   -0.90  80.00  82.00   50
  2  ω    -29.00  -4.00   0.50    0.50    --   -0.90 -80.00 -40.00   50
  3  ω     -1.00  24.00   0.50    0.50    --    0.90  80.00  82.00   50
  4  ω    -24.00  18.00   0.50    0.50    --    0.90 -80.00 -40.00   84
  5  ω    114.00 139.00   0.50    1.50    --  105.10  80.00  82.00   50
  6  ω     76.00 101.00   0.50    1.50    --  105.10 -80.00 -40.00   50
  7  ω    -39.00  33.00   0.50    0.50    --   -0.90 -82.00 120.00  144
  8  ω     49.00  74.00   0.50    0.50    --    0.90  38.00 -60.00   50
  9  ω    -39.00  34.00   0.50    0.50    --    0.90 -82.00 -90.00  146
 10  ω     82.00 193.00   0.50    1.50    --  105.10  82.00  60.00  222
 11  ω    162.00 194.00   0.50    1.50    --  105.10  77.00-180.00   64
 12  ω     82.00 188.00   0.50    1.50    --  105.10  82.00 120.00  212
 13  ω     86.00 142.00   0.50    1.50    --  105.10  82.00 150.00  112
 14  ω     83.00 143.00   0.50    1.50    --  105.10  77.00-180.00  120
 15  ω    153.00 194.00   0.50    1.50    --  105.10  82.00 150.00   82
 16  ω     19.00  97.00   0.50    1.50    --  105.10 -38.00   0.00  156
 17  ω    132.00 187.00   0.50    1.50    --  105.10  82.00   0.00  110
 18  ω     86.00 127.00   0.50    1.50    --  105.10  82.00   0.00   82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0330452000
_diffrn_orient_matrix_UB_12      0.0950504000
_diffrn_orient_matrix_UB_13      -0.0249803000
_diffrn_orient_matrix_UB_21      0.0358198000
_diffrn_orient_matrix_UB_22      0.0428453000
_diffrn_orient_matrix_UB_23      0.0841438000
_diffrn_orient_matrix_UB_31      0.0760059000
_diffrn_orient_matrix_UB_32      -0.0614345000
_diffrn_orient_matrix_UB_33      0.0200078000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3839
_reflns_number_total             4302
_reflns_odcompleteness_completeness 99.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.250
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4302
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0447
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0558P)²+2.9318P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1249
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C14(H14), C16(H16)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C15(H15A,H15B), C21(H21A,H21B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3A), C4(H4), C5(H5), C9(H9), C10(H10), C12(H12)
2.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
O1 O 0.54564(8) 0.62616(9) 0.03381(7) 0.0537(3) Uani 1 d . . .
O2 O 0.63164(9) 1.06807(11) 0.04344(9) 0.0722(4) Uani 1 d . . .
O3 O 0.57886(8) 1.03043(9) 0.12305(8) 0.0591(3) Uani 1 d . . .
O4 O 0.65356(8) 1.01192(10) 0.39075(7) 0.0632(4) Uani 1 d . . .
O5 O 0.76204(8) 0.91712(11) 0.45793(8) 0.0667(4) Uani 1 d . . .
N1 N 0.60190(8) 0.60725(10) 0.17199(8) 0.0478(3) Uani 1 d . . .
N2 N 0.59941(9) 0.75277(11) -0.01493(8) 0.0526(3) Uani 1 d . . .
N3 N 0.61193(9) 0.85719(12) -0.00293(8) 0.0506(3) Uani 1 d . . .
C1 C 0.71981(10) 0.36806(13) 0.27367(11) 0.0512(4) Uani 1 d . . .
H1 H 0.7572 0.3693 0.2555 0.061 Uiso 1 calc . . R
C2 C 0.72668(11) 0.29575(14) 0.33014(11) 0.0561(4) Uani 1 d . . .
H2 H 0.7681 0.2482 0.3491 0.067 Uiso 1 calc . . R
C3 C 0.67230(11) 0.29412(14) 0.35819(11) 0.0550(4) Uani 1 d . . .
H3A H 0.6772 0.2461 0.3966 0.066 Uiso 1 calc . . R
C4 C 0.61066(10) 0.36367(14) 0.32927(10) 0.0517(4) Uani 1 d . . .
H4 H 0.5738 0.3626 0.3481 0.062 Uiso 1 calc . . R
C5 C 0.60335(10) 0.43545(13) 0.27211(10) 0.0471(4) Uani 1 d . . .
H5 H 0.5613 0.4819 0.2525 0.057 Uiso 1 calc . . R
C6 C 0.65814(9) 0.43846(11) 0.24394(9) 0.0427(3) Uani 1 d . . .
C7 C 0.65313(11) 0.51729(13) 0.18270(10) 0.0510(4) Uani 1 d . . .
H7A H 0.7055 0.5432 0.1968 0.061 Uiso 1 calc . . R
H7B H 0.6349 0.4811 0.1331 0.061 Uiso 1 calc . . R
C8 C 0.62460(9) 0.68625(11) 0.22814(9) 0.0415(3) Uani 1 d . . .
C9 C 0.68743(9) 0.67244(12) 0.30260(10) 0.0457(4) Uani 1 d . . .
H9 H 0.7148 0.6092 0.3151 0.055 Uiso 1 calc . . R
C10 C 0.70927(10) 0.75155(13) 0.35763(10) 0.0465(4) Uani 1 d . . .
H10 H 0.7520 0.7418 0.4063 0.056 Uiso 1 calc . . R
C11 C 0.66792(9) 0.84603(12) 0.34092(9) 0.0428(3) Uani 1 d . . .
C12 C 0.60527(9) 0.86013(12) 0.26686(9) 0.0418(3) Uani 1 d . . .
H12 H 0.5768 0.9224 0.2555 0.050 Uiso 1 calc . . R
C13 C 0.58446(9) 0.78354(12) 0.20991(9) 0.0400(3) Uani 1 d . . .
C14 C 0.52178(9) 0.79872(12) 0.12688(9) 0.0428(3) Uani 1 d . . .
H14 H 0.4877 0.8582 0.1230 0.051 Uiso 1 calc . . R
C15 C 0.47513(10) 0.69559(14) 0.10255(11) 0.0526(4) Uani 1 d . . .
H15A H 0.4560 0.6772 0.1398 0.063 Uiso 1 calc . . R
H15B H 0.4305 0.7032 0.0514 0.063 Uiso 1 calc . . R
C16 C 0.52968(10) 0.61078(13) 0.10046(10) 0.0502(4) Uani 1 d . . .
H16 H 0.5033 0.5429 0.0940 0.060 Uiso 1 calc . . R
C17 C 0.56715(10) 0.72735(12) 0.03082(9) 0.0452(3) Uani 1 d . . .
C18 C 0.55801(9) 0.81219(12) 0.07236(9) 0.0416(3) Uani 1 d . . .
C19 C 0.58880(9) 0.89554(13) 0.04889(9) 0.0438(3) Uani 1 d . . .
C20 C 0.60258(10) 1.00698(13) 0.07048(10) 0.0481(4) Uani 1 d . . .
C21 C 0.58651(14) 1.14068(15) 0.14656(14) 0.0694(5) Uani 1 d . . .
H21A H 0.5629 1.1857 0.1010 0.083 Uiso 1 calc . . R
H21B H 0.6413 1.1595 0.1761 0.083 Uiso 1 calc . . R
C22 C 0.54603(15) 1.15268(19) 0.19482(14) 0.0817(7) Uani 1 d . . .
H22A H 0.4944 1.1232 0.1680 0.123 Uiso 1 calc . . GR
H22B H 0.5422 1.2259 0.2045 0.123 Uiso 1 calc . . GR
H22C H 0.5749 1.1168 0.2436 0.123 Uiso 1 calc . . GR
C23 C 0.69163(10) 0.93336(13) 0.39781(9) 0.0469(4) Uani 1 d . . .
C24 C 0.79251(13) 0.99853(18) 0.51612(13) 0.0743(6) Uani 1 d . . .
H24A H 0.7953 1.0633 0.4919 0.111 Uiso 1 calc . . GR
H24B H 0.8440 0.9793 0.5552 0.111 Uiso 1 calc . . GR
H24C H 0.7586 1.0073 0.5401 0.111 Uiso 1 calc . . GR
H3 H 0.6336(12) 0.8959(17) -0.0281(12) 0.067(6) Uiso 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 C16 1.4606(19) . ?
O1 C17 1.3615(19) . ?
O2 C20 1.204(2) . ?
O3 C20 1.318(2) . ?
O3 C21 1.461(2) . ?
O4 C23 1.209(2) . ?
O5 C23 1.334(2) . ?
O5 C24 1.439(2) . ?
N1 C7 1.461(2) . ?
N1 C8 1.392(2) . ?
N1 C16 1.441(2) . ?
N2 N3 1.352(2) . ?
N2 C17 1.326(2) . ?
N3 C19 1.353(2) . ?
N3 H3 0.91(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.383(2) . ?
C1 C6 1.383(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.375(3) . ?
C3 H3A 0.9300 . ?
C3 C4 1.375(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.385(2) . ?
C6 C7 1.517(2) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.400(2) . ?
C8 C13 1.415(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.380(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.395(2) . ?
C11 C12 1.394(2) . ?
C11 C23 1.479(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.382(2) . ?
C13 C14 1.511(2) . ?
C14 H14 0.9800 . ?
C14 C15 1.536(2) . ?
C14 C18 1.509(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.516(2) . ?
C16 H16 0.9800 . ?
C17 C18 1.401(2) . ?
C18 C19 1.386(2) . ?
C19 C20 1.468(2) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.464(3) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
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
C17 O1 C16 110.65(12) . . ?
C20 O3 C21 115.71(15) . . ?
C23 O5 C24 117.02(15) . . ?
C8 N1 C7 120.29(14) . . ?
C8 N1 C16 122.88(13) . . ?
C16 N1 C7 116.80(14) . . ?
C17 N2 N3 103.11(13) . . ?
N2 N3 C19 112.84(14) . . ?
N2 N3 H3 121.9(14) . . ?
C19 N3 H3 125.2(14) . . ?
C2 C1 H1 119.6 . . ?
C6 C1 H1 119.6 . . ?
C6 C1 C2 120.88(15) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.02(17) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3A 120.1 . . ?
C4 C3 C2 119.80(16) . . ?
C4 C3 H3A 120.1 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.17(15) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.53(16) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 118.59(15) . . ?
C1 C6 C7 119.30(14) . . ?
C5 C6 C7 122.10(15) . . ?
N1 C7 C6 115.38(13) . . ?
N1 C7 H7A 108.4 . . ?
N1 C7 H7B 108.4 . . ?
C6 C7 H7A 108.4 . . ?
C6 C7 H7B 108.4 . . ?
H7A C7 H7B 107.5 . . ?
N1 C8 C9 121.46(14) . . ?
N1 C8 C13 119.82(14) . . ?
C9 C8 C13 118.71(14) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.77(15) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.68(15) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C23 121.79(15) . . ?
C12 C11 C10 118.74(14) . . ?
C12 C11 C23 119.37(14) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 C11 121.45(14) . . ?
C13 C12 H12 119.3 . . ?
C8 C13 C14 117.03(13) . . ?
C12 C13 C8 119.53(14) . . ?
C12 C13 C14 123.41(14) . . ?
C13 C14 H14 111.2 . . ?
C13 C14 C15 106.55(13) . . ?
C15 C14 H14 111.2 . . ?
C18 C14 C13 110.67(12) . . ?
C18 C14 H14 111.2 . . ?
C18 C14 C15 105.89(13) . . ?
C14 C15 H15A 110.2 . . ?
C14 C15 H15B 110.2 . . ?
H15A C15 H15B 108.5 . . ?
C16 C15 C14 107.67(13) . . ?
C16 C15 H15A 110.2 . . ?
C16 C15 H15B 110.2 . . ?
O1 C16 C15 110.54(14) . . ?
O1 C16 H16 108.0 . . ?
N1 C16 O1 110.35(13) . . ?
N1 C16 C15 111.79(14) . . ?
N1 C16 H16 108.0 . . ?
C15 C16 H16 108.0 . . ?
O1 C17 C18 125.87(14) . . ?
N2 C17 O1 120.05(14) . . ?
N2 C17 C18 114.08(14) . . ?
C17 C18 C14 121.73(14) . . ?
C19 C18 C14 135.47(14) . . ?
C19 C18 C17 102.81(13) . . ?
N3 C19 C18 107.16(14) . . ?
N3 C19 C20 118.68(14) . . ?
C18 C19 C20 134.11(15) . . ?
O2 C20 O3 125.07(16) . . ?
O2 C20 C19 124.11(16) . . ?
O3 C20 C19 110.82(14) . . ?
O3 C21 H21A 110.4 . . ?
O3 C21 H21B 110.4 . . ?
O3 C21 C22 106.79(18) . . ?
H21A C21 H21B 108.6 . . ?
C22 C21 H21A 110.4 . . ?
C22 C21 H21B 110.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O4 C23 O5 123.12(15) . . ?
O4 C23 C11 124.93(15) . . ?
O5 C23 C11 111.93(14) . . ?
O5 C24 H24A 109.5 . . ?
O5 C24 H24B 109.5 . . ?
O5 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.876
_oxdiff_exptl_absorpt_empirical_full_min 0.548
