Information card for entry 2011929
Chemical name |
O-ethyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate |
Formula |
C17 H25 N O10 S |
Calculated formula |
C17 H25 N O10 S |
SMILES |
CCOC(=S)N[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C |
Title of publication |
<i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate |
Authors of publication |
Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2001 |
Journal volume |
57 |
Journal issue |
5 |
Pages of publication |
566 - 568 |
a |
7.7492 ± 0.0002 Å |
b |
10.447 ± 0.0003 Å |
c |
14.3852 ± 0.0003 Å |
α |
90° |
β |
100.81 ± 0.001° |
γ |
90° |
Cell volume |
1143.9 ± 0.05 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.096 |
Residual factor for significantly intense reflections |
0.062 |
Weighted residual factors for all reflections included in the refinement |
0.168 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.88 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2011929.html