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Information card for entry 2003101
Preview
| Coordinates | 2003101.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | L-Isoleucine:D-Norleucine |
|---|---|
| Formula | C12 H26 N2 O4 |
| Calculated formula | C12 H26 N2 O4 |
| SMILES | [O-]C(=O)[C@@H]([NH3+])[C@@H](C)CC.[O-]C(=O)[C@H]([NH3+])CCCC |
| Title of publication | Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series |
| Authors of publication | Dalhus, Bjørn; Görbitz, Carl Henrik |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 424 - 431 |
| a | 10.012 ± 0.002 Å |
| b | 4.7227 ± 0.0009 Å |
| c | 30.335 ± 0.006 Å |
| α | 90° |
| β | 98.38 ± 0.03° |
| γ | 90° |
| Cell volume | 1419 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections | 0.1183 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Goodness-of-fit parameter for all reflections | 1.119 |
| Goodness-of-fit parameter for significantly intense reflections | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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