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Information card for entry 2004876
Preview
| Coordinates | 2004876.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H14 S5 |
|---|---|
| Calculated formula | C12 H14 S5 |
| SMILES | CSc1ccc2c(c1SC)sc(c2SC)SC |
| Title of publication | 2,3,6,7-Tetrakis(methylthio)benzo[<i>b</i>]thiophene |
| Authors of publication | Parvez, M.; Mesher, S. T. E.; Clark, P. D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1248 - 1250 |
| a | 13.131 ± 0.003 Å |
| b | 7.541 ± 0.001 Å |
| c | 14.758 ± 0.003 Å |
| α | 90° |
| β | 96.03 ± 0.02° |
| γ | 90° |
| Cell volume | 1453.3 ± 0.5 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Goodness-of-fit parameter for significantly intense reflections | 2.838 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.