Information card for entry 2217465
Chemical name |
3,3'-(Ethane-1,2-diyl)bis(2-thioxo-1,3-oxazolidin-4-one) |
Formula |
C8 H8 N2 O4 S2 |
Calculated formula |
C8 H8 N2 O4 S2 |
SMILES |
O=C1COC(=S)N1CCN1C(=S)OCC1=O |
Title of publication |
3,3'-(Ethane-1,2-diyl)bis(2-thioxo-1,3-oxazolidin-4-one) |
Authors of publication |
Ge, Chunhua; Guo, Ya'nan; Zhang, Xiangdong; Zhang, Xiaoyan; Liu, Qitao |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
2 |
Pages of publication |
o506 - o506 |
a |
6.2845 ± 0.0012 Å |
b |
12.3252 ± 0.0019 Å |
c |
7.08 ± 0.002 Å |
α |
90° |
β |
105.22 ± 0.02° |
γ |
90° |
Cell volume |
529.2 ± 0.2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0609 |
Residual factor for significantly intense reflections |
0.0433 |
Weighted residual factors for significantly intense reflections |
0.1169 |
Weighted residual factors for all reflections included in the refinement |
0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2217465.html