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Information card for entry 2100241
Preview
| Coordinates | 2100241.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | L-Serine |
|---|---|
| Formula | C3 H7 N O3 |
| Calculated formula | C3 H7 N O3 |
| SMILES | C(=O)([C@H](CO)[NH3+])[O-] |
| Title of publication | Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa |
| Authors of publication | Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 1 |
| Pages of publication | 58 - 68 |
| a | 8.298 ± 0.0016 Å |
| b | 8.6 ± 0.003 Å |
| c | 5.4663 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 390.09 ± 0.17 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0791 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections | 0.1219 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1552 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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