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Information card for entry 2203711
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| Coordinates | 2203711.cif |
|---|---|
| Structure factors | 2203711.hkl |
| Original IUCr paper | HTML |
| Chemical name | L-Alanyl-L-threonine |
|---|---|
| Formula | C7 H14 N2 O4 |
| Calculated formula | C7 H14 N2 O4 |
| SMILES | O=C(N[C@@H]([C@H](O)C)C(=O)[O-])[C@@H]([NH3+])C |
| Title of publication | <small>L</small>-Alanyl-<small>L</small>-threonine |
| Authors of publication | Netland, Kjetil Andreas; Andresen, Kim; Görbitz, Carl Henrik; Dalhus, Bjørn |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 6 |
| Pages of publication | o951 - o953 |
| a | 6.0399 ± 0.0001 Å |
| b | 9.7642 ± 0.0002 Å |
| c | 14.682 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 865.87 ± 0.03 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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