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Information card for entry 2006051
Preview
| Coordinates | 2006051.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | pGlu-Pro-NH~2~ |
|---|---|
| Chemical name | (author's name) cis-3-(2-pyrrolidone-5(S)-carbonyl)-L-prolinamide |
| Formula | C10 H17 N3 O4 |
| Calculated formula | C10 H17 N3 O4 |
| SMILES | O=C1CC[C@H](N1)C(=O)N1CCC[C@H]1C(=O)N.O |
| Title of publication | The Dipeptide pGlu–Pro-NH~2~ |
| Authors of publication | Wouters, J.; Norberg, B.; Evrard, G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 477 - 480 |
| a | 10.154 ± 0.002 Å |
| b | 8.968 ± 0.002 Å |
| c | 6.749 ± 0.002 Å |
| α | 90° |
| β | 104 ± 0.2° |
| γ | 90° |
| Cell volume | 596.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0266 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for all reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Goodness-of-fit parameter for all reflections | 1.084 |
| Goodness-of-fit parameter for significantly intense reflections | 1.086 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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