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Information card for entry 2200449
Preview
| Coordinates | 2200449.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | DL-threoninium oxalate |
|---|---|
| Formula | C6 H11 N O7 |
| Calculated formula | C6 H11 N O7 |
| SMILES | O=C(O)[C@H]([NH3+])[C@@H](O)C.OC(=O)C(=O)[O-].O=C(O)[C@@H]([NH3+])[C@H](O)C.OC(=O)C(=O)[O-] |
| Title of publication | <small>DL</small>-Threoninium oxalate |
| Authors of publication | M.Subha Nandhini; R.V. Krishnakumar; R. Malathi; S.S. Rajan; S.Natarajan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | o769 - o771 |
| a | 8.325 ± 0.005 Å |
| b | 10.957 ± 0.004 Å |
| c | 10.363 ± 0.004 Å |
| α | 90° |
| β | 112.39 ± 0.05° |
| γ | 90° |
| Cell volume | 874 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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