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Information card for entry 2002993
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| Coordinates | 2002993.cif |
|---|---|
| Structure factors | 2002993.hkl |
| Original IUCr paper | HTML |
| Chemical name | L-leucyl-L-valine 2-propanol (1:1) |
|---|---|
| Formula | C14 H30 N2 O4 |
| Calculated formula | C14 H30 N2 O4 |
| Title of publication | Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine |
| Authors of publication | Görbitz, Carl Henrik; Torgersen, Eirin |
| Journal of publication | Acta Crystallographica, Section B: Structural Science |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 1 |
| Pages of publication | 104 - 113 |
| a | 5.1709 ± 0.0001 Å |
| b | 14.6136 ± 0.0002 Å |
| c | 22.423 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1694.4 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0796 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections | 0.1358 |
| Weighted residual factors for significantly intense reflections | 0.1225 |
| Goodness-of-fit parameter for all reflections | 1.106 |
| Goodness-of-fit parameter for significantly intense reflections | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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