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Information card for entry 2003187
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| Coordinates | 2003187.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C8 H15 N3 O3 |
|---|---|
| Calculated formula | C8 H15 N3 O3 |
| SMILES | CC(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)C |
| Title of publication | N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide |
| Authors of publication | Puliti, Raffaella; Mattia, Carlo Andrea |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 2 |
| Pages of publication | 336 - 339 |
| a | 5.5005 ± 0.0004 Å |
| b | 9.429 ± 0.001 Å |
| c | 20.712 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1074.2 ± 0.3 Å3 |
| Cell temperature | 293 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 significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.04 |
| Goodness-of-fit parameter for significantly intense reflections | 0.97 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.