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Information card for entry 2012731
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| Coordinates | 2012731.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | (±)-tartaric acid |
|---|---|
| Chemical name | (2R/S,3R/S)-dihydroxy-1,4-butanedioic acid |
| Formula | C4 H6 O6 |
| Calculated formula | C4 H6 O6 |
| SMILES | C(=O)(O)[C@@H](O)[C@H](O)C(=O)O.C(=O)(O)[C@H](O)[C@@H](O)C(=O)O |
| Title of publication | (±)-Tartaric acid |
| Authors of publication | Luner, Paul E.; Patel, Aditya D.; Swenson, Dale C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 6 |
| Pages of publication | o333 - o335 |
| a | 6.58 ± 0.001 Å |
| b | 9.186 ± 0.001 Å |
| c | 4.8966 ± 0.0007 Å |
| α | 91.52 ± 0.01° |
| β | 103.52 ± 0.01° |
| γ | 74.78 ± 0.01° |
| Cell volume | 277.48 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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