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Information card for entry 2003508
Preview
| Coordinates | 2003508.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | α,α-allo-trehalose trihydrate |
|---|---|
| Chemical name | α-D-allopyranosyl α-D-allopyranoside trihydrate |
| Formula | C12 H28 O14 |
| Calculated formula | C12 H28 O14 |
| SMILES | O([C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)CO)[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)CO.O.O.O |
| Title of publication | α,α-<i>allo</i>-Trehalose Trihydrate |
| Authors of publication | Linden, A.; Lee, C. K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 5 |
| Pages of publication | 1007 - 1012 |
| a | 9.4 ± 0.001 Å |
| b | 11.029 ± 0.001 Å |
| c | 9.153 ± 0.001 Å |
| α | 96.144 ± 0.009° |
| β | 96.84 ± 0.01° |
| γ | 65.235 ± 0.007° |
| Cell volume | 853.79 ± 0.16 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for all reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.032 |
| Goodness-of-fit parameter for significantly intense reflections | 1.817 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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