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Information card for entry 2202470
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| Coordinates | 2202470.cif |
|---|---|
| Structure factors | 2202470.hkl |
| Original IUCr paper | HTML |
| Common name | L-aspartic acid monohydrate |
|---|---|
| Chemical name | L-aspartic acid monohydrate |
| Formula | C4 H9 N O5 |
| Calculated formula | C4 H9 N O5 |
| SMILES | O=C([O-])[C@H]([NH3+])CC(=O)O.O |
| Title of publication | <small>L</small>-Aspartic acid monohydrate |
| Authors of publication | K. Umadevi; K. Anitha; B. Sridhar; N. Srinivasan; R. K. Rajaram |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 7 |
| Pages of publication | o1073 - o1075 |
| a | 5.587 ± 0.004 Å |
| b | 9.822 ± 0.005 Å |
| c | 11.813 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 648.2 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0626 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.1734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.70165 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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