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Information card for entry 2240077
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| Coordinates | 2240077.cif |
|---|---|
| Structure factors | 2240077.hkl |
| Original IUCr paper | HTML |
| Common name | <i>DL</i>-methionine |
|---|---|
| Chemical name | 2-Amino-4-(methylsulfanyl)butanoic acid |
| Formula | C5 H11 N O2 S |
| Calculated formula | C5 H11 N O2 S |
| Title of publication | Redetermined crystal structure of α-<small>DL</small>-methionine at 340K |
| Authors of publication | Görbitz, Carl Henrik; Qi, Lianglin; Mai, Ngan Thi Kim; Kristiansen, Håvard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 337 - 340 |
| a | 16.811 ± 0.005 Å |
| b | 4.7281 ± 0.0014 Å |
| c | 9.886 ± 0.003 Å |
| α | 90° |
| β | 101.95 ± 0.007° |
| γ | 90° |
| Cell volume | 768.8 ± 0.4 Å3 |
| Cell temperature | 340 ± 2 K |
| Ambient diffraction temperature | 340 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0552 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240077.cif 2240077.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240077.cif 2240077.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240077.cif 2240077.hkl |
| 125437 | 2014-10-16 | cif/ hkl/ Adding structures of 2240077 via cif-deposit CGI script. |
2240077.cif 2240077.hkl |
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Users of the data should acknowledge the original authors of the
structural data.