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Information card for entry 2203517
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| Coordinates | 2203517.cif |
|---|---|
| Structure factors | 2203517.hkl |
| Original IUCr paper | HTML |
| Chemical name | L-Leucyl-L-isoleucine 0.75-hydrate |
|---|---|
| Formula | C12 H25.5 N2 O3.76 |
| Calculated formula | C12.0025 H25.528 N2 O3.7615 |
| Title of publication | <small>L</small>-Leucyl-<small>L</small>-isoleucine 0.75 hydrate |
| Authors of publication | Görbitz, Carl Henrik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 4 |
| Pages of publication | o647 - o650 |
| a | 29.633 ± 0.007 Å |
| b | 29.633 ± 0.007 Å |
| c | 12.035 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9152 ± 4 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 171 |
| Hermann-Mauguin space group symbol | P 62 |
| Hall space group symbol | P 62 |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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