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Information card for entry 2004845
Preview
| Coordinates | 2004845.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Hippuryl-L-Histidyl-L-Leucine |
|---|---|
| Formula | C21 H37 N5 O10 |
| Calculated formula | C21 H37 N5 O10 |
| SMILES | [O-]C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccccc1.O.O.O.O.O |
| Title of publication | Hippuryl-<small>L</small>-histidyl-<small>L</small>-leucine, a Substrate for Angiotensin Converting Enzyme |
| Authors of publication | Vrielink, A.; Obel-Jorgensen, A.; Codding, P. W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1300 - 1302 |
| a | 10.055 ± 0.002 Å |
| b | 14.974 ± 0.004 Å |
| c | 17.825 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2683.8 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1192 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections | 0.1885 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Goodness-of-fit parameter for all reflections | 0.986 |
| Goodness-of-fit parameter for significantly intense reflections | 0.986 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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