Information card for entry 2228533
Common name |
Ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-phthalimido-1- thio-β-D-glucopyranoside |
Chemical name |
ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-(1,3-dioxo-2,3-dihydro- 1H-isoindol-2-yl)-1-thio-β-D-glucopyranoside |
Formula |
C23 H23 N O6 S |
Calculated formula |
C23 H23 N O6 S |
SMILES |
S(CC)[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)c1ccccc1)O)N1C(=O)c2ccccc2C1=O |
Title of publication |
Ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-phthalimido-1-thio-β-<small>D</small>-glucopyranoside |
Authors of publication |
Hamark, Christoffer; Landström, Jens; Eriksson, Lars; Widmalm, Göran |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3249 |
a |
8.6728 ± 0.0006 Å |
b |
9.7583 ± 0.001 Å |
c |
25.3102 ± 0.0015 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2142 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.103 |
Residual factor for significantly intense reflections |
0.0359 |
Weighted residual factors for significantly intense reflections |
0.0766 |
Weighted residual factors for all reflections included in the refinement |
0.11 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.825 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2228533.html