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Information card for entry 2010379
Preview
| Coordinates | 2010379.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C10 H16 O3 S |
|---|---|
| Calculated formula | C10 H16 O3 S |
| SMILES | S1(O[C@H]2[C@@](O1)([C@H]1C[C@@H](C2)C1(C)C)C)=O |
| Title of publication | Two Isomeric Sulfites of 10β-Pinane-2,3α-diol |
| Authors of publication | Hellier, Desmond G.; Motevalli, Majid |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 1 |
| Pages of publication | 116 - 119 |
| a | 6.706 ± 0.001 Å |
| b | 12.49 ± 0.002 Å |
| c | 12.965 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1085.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1513 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for all reflections | 0.1025 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Goodness-of-fit parameter for all reflections | 0.841 |
| Goodness-of-fit parameter for significantly intense reflections | 1.216 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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.