Information card for entry 2230218
Chemical name |
5,6-Dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dioxine-2-thione |
Formula |
C5 H4 O2 S3 |
Calculated formula |
C5 H4 O2 S3 |
SMILES |
S=C1SC2OCCOC=2S1 |
Title of publication |
5,6-Dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dioxine-2-thione |
Authors of publication |
Wang, Guan-nan; Xiao, Xun-wen; Cai, Tongjiang; Huang, Qin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
6 |
Pages of publication |
o1404 |
a |
5.4645 ± 0.0008 Å |
b |
13.43 ± 0.002 Å |
c |
9.8189 ± 0.0016 Å |
α |
90° |
β |
91.294 ± 0.003° |
γ |
90° |
Cell volume |
720.41 ± 0.19 Å3 |
Cell temperature |
223 ± 2 K |
Ambient diffraction temperature |
223 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0365 |
Residual factor for significantly intense reflections |
0.0311 |
Weighted residual factors for significantly intense reflections |
0.0802 |
Weighted residual factors for all reflections included in the refinement |
0.083 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.171 |
Diffraction radiation wavelength |
0.71075 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2230218.html