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Information card for entry 7212711
Preview
| Coordinates | 7212711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | L-aminobutyric acid:D-norleucine |
|---|---|
| Chemical name | S-2-aminobutanoic acid : R-2-aminohexanoic acid (1:1) |
| Formula | C10 H22 N2 O4 |
| Calculated formula | C10 H22 N2 O4 |
| Title of publication | Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. |
| Authors of publication | Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 30 |
| Pages of publication | 8466 - 8477 |
| a | 5.1725 ± 0.0003 Å |
| b | 5.3955 ± 0.0003 Å |
| c | 12.3952 ± 0.0007 Å |
| α | 92.631 ± 0.002° |
| β | 94.747 ± 0.002° |
| γ | 113.103 ± 0.002° |
| Cell volume | 315.93 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180458 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27. |
7212711.cif |
| 93241 | 2014-01-12 | cif/ Adding structures of 7212709, 7212710, 7212711 via cif-deposit CGI script. |
7212711.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.