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Information card for entry 2003826
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Potassium_hydrogen_cis-4-cyclohexene-1,2-dicarboxylate_monohydrate |
|---|---|
| Formula | C8 H11 K O5 |
| Calculated formula | C8 H11 K O5 |
| SMILES | [C@@H]1([C@H](CC=CC1)C(=O)[O-])C(=O)O.[K+].O |
| Title of publication | Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate |
| Authors of publication | Kim, S. A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 1486 - 1488 |
| a | 7.9463 ± 0.0015 Å |
| b | 9.549 ± 0.005 Å |
| c | 26.364 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2000.5 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections | 0.1286 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Goodness-of-fit parameter for all reflections | 1.026 |
| Goodness-of-fit parameter for significantly intense reflections | 1.081 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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