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Information card for entry 2008148
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| Coordinates | 2008148.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | (+)-tartaric acid dimethyl ether |
|---|---|
| Chemical name | (2R,3R)-(+)-2,3-dimethoxybutanedioic acid |
| Formula | C6 H10 O6 |
| Calculated formula | C6 H10 O6 |
| SMILES | CO[C@H]([C@H](C(=O)O)OC)C(=O)O |
| Title of publication | Hydrogen bonding in (2<i>R</i>,3<i>R</i>)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether] |
| Authors of publication | Gerkin, Roger E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 209 - 211 |
| a | 7.0863 ± 0.0005 Å |
| b | 4.3394 ± 0.0006 Å |
| c | 13.2126 ± 0.0006 Å |
| α | 90° |
| β | 90.147 ± 0.005° |
| γ | 90° |
| Cell volume | 406.29 ± 0.07 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Goodness-of-fit parameter for significantly intense reflections | 1.9 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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