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Information card for entry 2005171
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| Coordinates | 2005171.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | L-leucine |
|---|---|
| Formula | C6 H13 N O2 |
| Calculated formula | C6 H13 N O2 |
| SMILES | O=C([O-])[C@@H]([NH3+])CC(C)C |
| Title of publication | Redetermination of <small>L</small>-Leucine at 120K |
| Authors of publication | Görbitz, C. H.; Dalhus, B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1754 - 1756 |
| a | 9.562 ± 0.002 Å |
| b | 5.301 ± 0.001 Å |
| c | 14.519 ± 0.003 Å |
| α | 90° |
| β | 94.2 ± 0.02° |
| γ | 90° |
| Cell volume | 734 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections | 0.1044 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Goodness-of-fit parameter for all reflections | 1.086 |
| Goodness-of-fit parameter for significantly intense reflections | 1.116 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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