Information card for entry 2015114
Chemical name |
4,5-Bis(furoylsulfanyl)-1,3-dithiolane-2-thione |
Formula |
C13 H6 O4 S5 |
Calculated formula |
C13 H6 O4 S5 |
SMILES |
S=C1SC(=C(S1)SC(=O)c1ccco1)SC(=O)c1ccco1 |
Title of publication |
4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione |
Authors of publication |
Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Guo, Wen-Feng |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
10 |
Pages of publication |
o583 - o585 |
a |
7.2228 ± 0.0011 Å |
b |
24.518 ± 0.003 Å |
c |
5.033 ± 0.0007 Å |
α |
90° |
β |
120.521 ± 0.01° |
γ |
90° |
Cell volume |
767.8 ± 0.2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
8 |
Hermann-Mauguin space group symbol |
C 1 m 1 |
Hall space group symbol |
C -2y |
Residual factor for all reflections |
0.0495 |
Residual factor for significantly intense reflections |
0.0349 |
Weighted residual factors for significantly intense reflections |
0.0814 |
Weighted residual factors for all reflections included in the refinement |
0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
Diffraction radiation wavelength |
0.71069 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/2015114.html