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Information card for entry 2240647
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| Coordinates | 2240647.cif |
|---|---|
| Structure factors | 2240647.hkl |
| Original IUCr paper | HTML |
| Common name | DL-methionine |
|---|---|
| Chemical name | 2-Amino-4-(methylsulfanyl)butanoic acid |
| Formula | C5 H11 N O2 S |
| Calculated formula | C5 H11 N O2 S |
| SMILES | S(CCC([NH3+])C(=O)[O-])C |
| Title of publication | Redetermined crystal structure of β-<small>DL</small>-methionine at 320K |
| Authors of publication | Görbitz, Carl Henrik; Paulsen, Jan Christian; Borgersen, Jon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o398 - o399 |
| a | 31.774 ± 0.002 Å |
| b | 4.6969 ± 0.0003 Å |
| c | 9.8939 ± 0.0007 Å |
| α | 90° |
| β | 91.224 ± 0.002° |
| γ | 90° |
| Cell volume | 1476.22 ± 0.17 Å3 |
| Cell temperature | 320 ± 2 K |
| Ambient diffraction temperature | 320 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240647.cif 2240647.hkl |
| 136437 | 2015-05-13 | cif/ hkl/ Adding structures of 2240647 via cif-deposit CGI script. |
2240647.cif 2240647.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.