Information card for entry 2205598
Chemical name |
4,5-Bis(pivaloylsulfanyl)-1,3-dithiolane-2-thione |
Formula |
C13 H18 O2 S5 |
Calculated formula |
C13 H18 O2 S5 |
SMILES |
O=C(C(C)(C)C)SC1SC(=S)SC=1SC(=O)C(C)(C)C |
Title of publication |
4,5-Bis(pivaloylsulfanyl)-1,3-dithiolane-2-thione |
Authors of publication |
Wang, Yan Ling; Yu, Wen Tao; Xu, Dong; Wang, Xin Qiang; Zhang, Guang Hui |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
4 |
Pages of publication |
o971 - o973 |
a |
23.469 ± 0.005 Å |
b |
8.953 ± 0.005 Å |
c |
8.492 ± 0.005 Å |
α |
90 ± 0.005° |
β |
95.879 ± 0.005° |
γ |
90 ± 0.005° |
Cell volume |
1774.9 ± 1.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0782 |
Residual factor for significantly intense reflections |
0.0607 |
Weighted residual factors for significantly intense reflections |
0.1578 |
Weighted residual factors for all reflections included in the refinement |
0.1695 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2205598.html