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Information card for entry 2004822
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Common name | DL-GLUTAMINE |
|---|---|
| Chemical name | DL-GLUTAMINE |
| Formula | C5 H10 N2 O3 |
| Calculated formula | C5 H10 N2 O3 |
| SMILES | O=C([O-])C([NH3+])CCC(=O)N |
| Title of publication | <small>DL</small>-Glutamine |
| Authors of publication | Suresh, S.; Padmanabhan, S.; Vijayan, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1313 - 1316 |
| a | 16.051 ± 0.002 Å |
| b | 4.6538 ± 0.001 Å |
| c | 9.9373 ± 0.0012 Å |
| α | 90° |
| β | 106.484 ± 0.009° |
| γ | 90° |
| Cell volume | 711.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for all reflections | 0.1304 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Goodness-of-fit parameter for all reflections | 1.108 |
| Goodness-of-fit parameter for significantly intense reflections | 1.153 |
| Diffraction radiation wavelength | 0.71068 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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