Information card for entry 2209999
Chemical name |
2,3,5,-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-β-D-ribofuranose |
Formula |
C13 H19 Cl O8 |
Calculated formula |
C13 H19 Cl O8 |
SMILES |
ClCCO[C@H]1[C@@H]([C@@H]([C@@H](COC(=O)C)O1)OC(=O)C)OC(=O)C |
Title of publication |
2,3,5-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-β-<small>D</small>-ribofuranose |
Authors of publication |
Constable, Edwin C.; Housecroft, Catherine E.; Mahmood, Azad; Neuburger, Markus; Schaffner, Silvia |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
8 |
Pages of publication |
o3151 - o3153 |
a |
7.3407 ± 0.0005 Å |
b |
13.5532 ± 0.0014 Å |
c |
15.4384 ± 0.0009 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1536 ± 0.2 Å3 |
Cell temperature |
173 K |
Ambient diffraction temperature |
173 K |
Number of distinct elements |
4 |
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 |
0.0461 |
Residual factor for significantly intense reflections |
0.029 |
Weighted residual factors for all reflections |
0.034 |
Weighted residual factors for significantly intense reflections |
0.0326 |
Weighted residual factors for all reflections included in the refinement |
0.0326 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.0728 |
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/2209999.html