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Information card for entry 2200194
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| Coordinates | 2200194.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ethanedithiol Diacetate |
|---|---|
| Formula | C6 H10 O2 S2 |
| Calculated formula | C6 H10 O2 S2 |
| Title of publication | Ethanedithiol diacetate |
| Authors of publication | Fleischer, Holger; Schollmeyer, Dieter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | o330 - o331 |
| a | 5.1677 ± 0.0006 Å |
| b | 7.1944 ± 0.0009 Å |
| c | 11.6869 ± 0.0015 Å |
| α | 90° |
| β | 100.449 ± 0.002° |
| γ | 90° |
| Cell volume | 427.3 ± 0.09 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.