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Information card for entry 2003479
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| Coordinates | 2003479.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | potassium D-3-phosphoglycerate |
|---|---|
| Formula | C3 H6 K O7 P |
| Calculated formula | C3 H6 K O7 P |
| SMILES | [K+].P(=O)(OC[C@@H](O)C(=O)O)([O-])O |
| Title of publication | Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate |
| Authors of publication | Lis, T.; Jerzykiewicz, L. B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 5 |
| Pages of publication | 1001 - 1005 |
| a | 7.349 ± 0.003 Å |
| b | 7.535 ± 0.003 Å |
| c | 14.539 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 805.1 ± 0.5 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0313 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for all reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Goodness-of-fit parameter for all reflections | 1.123 |
| Goodness-of-fit parameter for significantly intense reflections | 1.131 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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