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Information card for entry 2011619
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| Coordinates | 2011619.cif |
|---|---|
| Structure factors | 2011619.hkl |
| Original IUCr paper | HTML |
| Chemical name | L-Phenylalanyl-L-valine |
|---|---|
| Formula | C14 H20 N2 O3 |
| Calculated formula | C14 H20 N2 O3 |
| SMILES | O=C(N[C@@H](C(C)C)C(=O)[O-])[C@@H]([NH3+])Cc1ccccc1 |
| Title of publication | An NH~3~^+^···phenyl interaction in <small>L</small>-phenylalanyl-<small>L</small>-valine |
| Authors of publication | Görbitz, Carl Henrik |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 12 |
| Pages of publication | 1496 - 1498 |
| a | 5.0955 ± 0.0003 Å |
| b | 13.2155 ± 0.0007 Å |
| c | 20.167 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1358.04 ± 0.13 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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