# Electronic Supplementary Material (ESI) for Chemical Science
# This journal is © The Royal Society of Chemistry 2013

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_130417_zy_4_25_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H27 N3 O5'
_chemical_formula_sum            'C24 H27 N3 O5'
_chemical_formula_weight         437.49

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                   8.9819(6)
_cell_length_b                   10.2800(9)
_cell_length_c                   13.0080(11)
_cell_angle_alpha                86.490(7)
_cell_angle_beta                 73.036(7)
_cell_angle_gamma                79.688(7)
_cell_volume                     1130.21(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    2038
_cell_measurement_theta_min      3.2679
_cell_measurement_theta_max      29.5304

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.23
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             464
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9628
_exptl_absorpt_correction_T_max  0.9794
_exptl_absorpt_process_details   
;
CrysAlis PRO (Agilent Technologies, 2011) 
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      170(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  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean 10.3592
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7446
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.27
_diffrn_reflns_theta_max         25.35
_reflns_number_total             4118
_reflns_number_gt                3040
_reflns_threshold_expression     >2sigma(I)

_computing_cell_refinement       'CrysAlis PRO (Agilent Technologies, 2011)'
_computing_data_collection       'CrysAlis PRO'
_computing_data_reduction        'CrysAlis PRO'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  OLEX2
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0433P)^2^+0.2797P] where P=(Fo^2^+2Fc^2^)/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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4118
_refine_ls_number_parameters     292
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0448
_refine_ls_wR_factor_ref         0.1118
_refine_ls_wR_factor_gt          0.0976
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.13668(15) 0.27646(15) 0.08554(11) 0.0398(4) Uani 1 1 d . . .
H1 H 0.1699 0.2213 0.0355 0.060 Uiso 1 1 calc R . .
O2 O 0.71399(14) -0.06793(13) 0.04244(9) 0.0276(3) Uani 1 1 d . . .
O3 O 0.73817(13) -0.01951(14) 0.20264(9) 0.0286(3) Uani 1 1 d . . .
O4 O 0.51155(15) -0.29312(14) 0.13475(11) 0.0347(3) Uani 1 1 d . . .
O5 O 0.35024(14) -0.21336(13) 0.03190(10) 0.0310(3) Uani 1 1 d . . .
N1 N 0.24684(17) 0.26620(17) 0.14429(12) 0.0310(4) Uani 1 1 d . . .
N2 N 0.50093(16) -0.04077(15) 0.19042(11) 0.0233(4) Uani 1 1 d . . .
N3 N 0.40737(16) -0.07308(16) 0.13094(12) 0.0259(4) Uani 1 1 d . . .
H3 H 0.3353 -0.0134 0.1134 0.031 Uiso 1 1 calc R . .
C1 C 0.0019(2) 0.5268(2) 0.17262(16) 0.0323(5) Uani 1 1 d . . .
H1A H 0.0500 0.5083 0.0985 0.039 Uiso 1 1 calc R . .
C2 C -0.1273(2) 0.6262(2) 0.20372(18) 0.0397(5) Uani 1 1 d . . .
H2 H -0.1673 0.6757 0.1506 0.048 Uiso 1 1 calc R . .
C3 C -0.1990(2) 0.6545(2) 0.3107(2) 0.0445(6) Uani 1 1 d . . .
H3A H -0.2864 0.7244 0.3312 0.053 Uiso 1 1 calc R . .
C4 C -0.1430(2) 0.5809(2) 0.38777(18) 0.0455(6) Uani 1 1 d . . .
H4 H -0.1936 0.5984 0.4618 0.055 Uiso 1 1 calc R . .
C5 C -0.0131(2) 0.4817(2) 0.35749(16) 0.0385(5) Uani 1 1 d . . .
H5 H 0.0254 0.4321 0.4112 0.046 Uiso 1 1 calc R . .
C6 C 0.0620(2) 0.45342(19) 0.24965(15) 0.0276(4) Uani 1 1 d . . .
C7 C 0.2055(2) 0.34900(19) 0.22161(14) 0.0258(4) Uani 1 1 d . . .
C8 C 0.3201(2) 0.34113(19) 0.28671(14) 0.0250(4) Uani 1 1 d . . .
C9 C 0.3787(2) 0.4562(2) 0.29357(16) 0.0320(5) Uani 1 1 d . . .
H9 H 0.3422 0.5350 0.2598 0.038 Uiso 1 1 calc R . .
C10 C 0.4882(2) 0.4577(2) 0.34830(16) 0.0348(5) Uani 1 1 d . . .
H10 H 0.5288 0.5363 0.3507 0.042 Uiso 1 1 calc R . .
C11 C 0.5387(2) 0.3445(2) 0.39958(16) 0.0346(5) Uani 1 1 d . . .
H11 H 0.6144 0.3447 0.4375 0.041 Uiso 1 1 calc R . .
C12 C 0.4788(2) 0.2304(2) 0.39571(15) 0.0300(5) Uani 1 1 d . . .
H12 H 0.5124 0.1535 0.4328 0.036 Uiso 1 1 calc R . .
C13 C 0.37033(19) 0.22569(19) 0.33879(14) 0.0236(4) Uani 1 1 d . . .
C14 C 0.30505(19) 0.09917(19) 0.34052(14) 0.0244(4) Uani 1 1 d . . .
H14 H 0.2354 0.1109 0.2919 0.029 Uiso 1 1 calc R . .
C15 C 0.2123(2) 0.0564(2) 0.45013(16) 0.0331(5) Uani 1 1 d . . .
H15 H 0.1454 0.1158 0.5041 0.040 Uiso 1 1 calc R . .
C16 C 0.2350(2) -0.0729(2) 0.46193(16) 0.0346(5) Uani 1 1 d . . .
H16 H 0.1859 -0.1181 0.5252 0.042 Uiso 1 1 calc R . .
C17 C 0.3481(2) -0.1403(2) 0.36340(15) 0.0310(5) Uani 1 1 d . . .
H17A H 0.2919 -0.1750 0.3188 0.037 Uiso 1 1 calc R . .
H17B H 0.4241 -0.2133 0.3822 0.037 Uiso 1 1 calc R . .
C18 C 0.4301(2) -0.02608(19) 0.30667(14) 0.0241(4) Uani 1 1 d . . .
H18 H 0.5173 -0.0207 0.3388 0.029 Uiso 1 1 calc R . .
C19 C 0.6560(2) -0.04467(18) 0.13817(14) 0.0230(4) Uani 1 1 d . . .
C20 C 0.9056(2) -0.0186(2) 0.15225(15) 0.0340(5) Uani 1 1 d . . .
H20A H 0.9204 0.0490 0.0943 0.041 Uiso 1 1 calc R . .
H20B H 0.9589 -0.1061 0.1210 0.041 Uiso 1 1 calc R . .
C21 C 0.9716(3) 0.0128(3) 0.23816(19) 0.0656(9) Uani 1 1 d . . .
H21A H 1.0847 0.0145 0.2079 0.098 Uiso 1 1 calc R . .
H21B H 0.9560 -0.0549 0.2949 0.098 Uiso 1 1 calc R . .
H21C H 0.9176 0.0994 0.2684 0.098 Uiso 1 1 calc R . .
C22 C 0.4329(2) -0.2034(2) 0.10056(14) 0.0264(4) Uani 1 1 d . . .
C23 C 0.3668(2) -0.3456(2) -0.00817(17) 0.0332(5) Uani 1 1 d . . .
H23A H 0.3302 -0.4067 0.0522 0.040 Uiso 1 1 calc R . .
H23B H 0.4789 -0.3792 -0.0457 0.040 Uiso 1 1 calc R . .
C24 C 0.2685(2) -0.3373(2) -0.08426(18) 0.0429(6) Uani 1 1 d . . .
H24A H 0.3059 -0.2768 -0.1437 0.064 Uiso 1 1 calc R . .
H24B H 0.1579 -0.3042 -0.0462 0.064 Uiso 1 1 calc R . .
H24C H 0.2774 -0.4253 -0.1128 0.064 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O1 0.0427(8) 0.0465(10) 0.0341(8) -0.0145(7) -0.0238(7) 0.0092(7)
O2 0.0327(7) 0.0278(8) 0.0210(7) -0.0031(6) -0.0072(5) -0.0013(6)
O3 0.0227(6) 0.0420(9) 0.0224(7) -0.0048(6) -0.0063(5) -0.0080(6)
O4 0.0413(8) 0.0279(8) 0.0402(8) 0.0040(6) -0.0217(6) -0.0043(6)
O5 0.0365(7) 0.0254(8) 0.0380(8) -0.0046(6) -0.0216(6) -0.0032(6)
N1 0.0331(9) 0.0349(11) 0.0260(9) -0.0038(8) -0.0140(7) 0.0021(7)
N2 0.0235(8) 0.0280(10) 0.0205(8) -0.0033(7) -0.0091(6) -0.0041(6)
N3 0.0260(8) 0.0249(9) 0.0303(9) -0.0030(7) -0.0150(6) -0.0010(7)
C1 0.0352(11) 0.0289(12) 0.0342(11) 0.0012(9) -0.0128(8) -0.0047(9)
C2 0.0416(12) 0.0264(13) 0.0561(15) 0.0035(10) -0.0253(11) -0.0011(10)
C3 0.0304(11) 0.0352(14) 0.0646(16) -0.0086(12) -0.0126(10) 0.0042(9)
C4 0.0377(12) 0.0519(16) 0.0408(13) -0.0132(11) -0.0065(10) 0.0045(11)
C5 0.0386(12) 0.0426(14) 0.0308(11) -0.0053(10) -0.0109(9) 0.0053(10)
C6 0.0277(10) 0.0250(11) 0.0312(11) -0.0007(8) -0.0106(8) -0.0036(8)
C7 0.0281(10) 0.0265(11) 0.0214(10) 0.0020(8) -0.0066(7) -0.0023(8)
C8 0.0265(9) 0.0255(11) 0.0214(10) -0.0037(8) -0.0050(7) -0.0021(8)
C9 0.0383(11) 0.0240(12) 0.0342(11) -0.0003(9) -0.0120(9) -0.0036(9)
C10 0.0397(11) 0.0293(13) 0.0397(12) -0.0051(10) -0.0139(9) -0.0113(9)
C11 0.0342(11) 0.0383(14) 0.0369(12) -0.0073(10) -0.0177(9) -0.0060(9)
C12 0.0329(10) 0.0310(12) 0.0279(10) -0.0020(9) -0.0130(8) -0.0023(9)
C13 0.0229(9) 0.0242(11) 0.0215(10) -0.0025(8) -0.0049(7) -0.0002(8)
C14 0.0209(9) 0.0268(11) 0.0258(10) -0.0004(8) -0.0084(7) -0.0023(8)
C15 0.0257(10) 0.0374(14) 0.0306(11) -0.0033(9) -0.0001(8) -0.0034(9)
C16 0.0312(11) 0.0392(14) 0.0293(11) 0.0064(9) -0.0027(8) -0.0077(9)
C17 0.0337(10) 0.0255(12) 0.0341(11) 0.0028(9) -0.0109(8) -0.0047(8)
C18 0.0240(9) 0.0269(11) 0.0224(10) 0.0005(8) -0.0085(7) -0.0043(8)
C19 0.0275(10) 0.0188(10) 0.0229(10) -0.0009(8) -0.0092(8) -0.0010(8)
C20 0.0204(9) 0.0484(14) 0.0307(11) -0.0020(10) -0.0019(8) -0.0080(9)
C21 0.0328(12) 0.126(3) 0.0450(15) -0.0111(16) -0.0096(10) -0.0315(14)
C22 0.0271(10) 0.0280(12) 0.0261(10) 0.0008(9) -0.0097(8) -0.0062(8)
C23 0.0382(11) 0.0230(12) 0.0418(12) -0.0059(9) -0.0143(9) -0.0072(9)
C24 0.0455(12) 0.0440(15) 0.0462(13) -0.0102(11) -0.0193(10) -0.0122(11)

_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 N1 1.4029(19) . ?
O1 H1 0.8400 . ?
O2 C19 1.222(2) . ?
O3 C19 1.331(2) . ?
O3 C20 1.456(2) . ?
O4 C22 1.203(2) . ?
O5 C22 1.336(2) . ?
O5 C23 1.453(2) . ?
N1 C7 1.284(2) . ?
N2 C19 1.354(2) . ?
N2 N3 1.3878(19) . ?
N2 C18 1.465(2) . ?
N3 C22 1.380(2) . ?
N3 H3 0.8800 . ?
C1 C2 1.381(3) . ?
C1 C6 1.393(3) . ?
C1 H1A 0.9500 . ?
C2 C3 1.377(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.377(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.382(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.492(2) . ?
C7 C8 1.501(2) . ?
C8 C9 1.395(3) . ?
C8 C13 1.400(3) . ?
C9 C10 1.375(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.377(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.394(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.516(3) . ?
C14 C15 1.511(3) . ?
C14 C18 1.542(2) . ?
C14 H14 1.0000 . ?
C15 C16 1.314(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.501(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.534(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18 1.0000 . ?
C20 C21 1.484(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C23 C24 1.496(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?

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 O1 H1 109.5 . . ?
C19 O3 C20 116.05(13) . . ?
C22 O5 C23 115.12(14) . . ?
C7 N1 O1 113.21(14) . . ?
C19 N2 N3 116.54(14) . . ?
C19 N2 C18 125.33(14) . . ?
N3 N2 C18 117.39(13) . . ?
C22 N3 N2 116.78(14) . . ?
C22 N3 H3 121.6 . . ?
N2 N3 H3 121.6 . . ?
C2 C1 C6 120.19(19) . . ?
C2 C1 H1A 119.9 . . ?
C6 C1 H1A 119.9 . . ?
C3 C2 C1 120.9(2) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 119.5(2) . . ?
C4 C3 H3A 120.3 . . ?
C2 C3 H3A 120.3 . . ?
C3 C4 C5 120.0(2) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 121.0(2) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 118.29(17) . . ?
C5 C6 C7 118.68(17) . . ?
C1 C6 C7 123.00(17) . . ?
N1 C7 C6 127.26(16) . . ?
N1 C7 C8 114.92(15) . . ?
C6 C7 C8 117.77(16) . . ?
C9 C8 C13 119.55(17) . . ?
C9 C8 C7 116.97(17) . . ?
C13 C8 C7 123.48(17) . . ?
C10 C9 C8 121.30(19) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C10 C11 119.6(2) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C12 119.84(18) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 121.62(19) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C8 118.10(18) . . ?
C12 C13 C14 119.15(17) . . ?
C8 C13 C14 122.66(16) . . ?
C15 C14 C13 115.05(15) . . ?
C15 C14 C18 100.39(15) . . ?
C13 C14 C18 115.22(14) . . ?
C15 C14 H14 108.6 . . ?
C13 C14 H14 108.6 . . ?
C18 C14 H14 108.6 . . ?
C16 C15 C14 111.98(17) . . ?
C16 C15 H15 124.0 . . ?
C14 C15 H15 124.0 . . ?
C15 C16 C17 111.79(18) . . ?
C15 C16 H16 124.1 . . ?
C17 C16 H16 124.1 . . ?
C16 C17 C18 101.19(16) . . ?
C16 C17 H17A 111.5 . . ?
C18 C17 H17A 111.5 . . ?
C16 C17 H17B 111.5 . . ?
C18 C17 H17B 111.5 . . ?
H17A C17 H17B 109.3 . . ?
N2 C18 C17 115.21(15) . . ?
N2 C18 C14 114.71(15) . . ?
C17 C18 C14 104.80(14) . . ?
N2 C18 H18 107.2 . . ?
C17 C18 H18 107.2 . . ?
C14 C18 H18 107.2 . . ?
O2 C19 O3 123.66(16) . . ?
O2 C19 N2 123.88(16) . . ?
O3 C19 N2 112.46(14) . . ?
O3 C20 C21 106.50(15) . . ?
O3 C20 H20A 110.4 . . ?
C21 C20 H20A 110.4 . . ?
O3 C20 H20B 110.4 . . ?
C21 C20 H20B 110.4 . . ?
H20A C20 H20B 108.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O4 C22 O5 126.25(18) . . ?
O4 C22 N3 124.82(17) . . ?
O5 C22 N3 108.86(16) . . ?
O5 C23 C24 107.55(17) . . ?
O5 C23 H23A 110.2 . . ?
C24 C23 H23A 110.2 . . ?
O5 C23 H23B 110.2 . . ?
C24 C23 H23B 110.2 . . ?
H23A C23 H23B 108.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.043
_database_code_depnum_ccdc_archive 'CCDC 940835'