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Information card for entry 2000054
Preview
| Coordinates | 2000054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 N2 O5 |
|---|---|
| Calculated formula | C9 H12 N2 O5 |
| SMILES | OC[C@H]1CC2(C[C@@H]1O)C(=O)NC(=O)NC2=O |
| Title of publication | (3S,2R)-3-Hydroxy-2-hydroxymethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione |
| Authors of publication | Averbuch-Pouchot, M.-T.; Durif, A.; Renard, A.; Kotera, M.; Lhomme, J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | o256 - o258 |
| a | 7.467 ± 0.002 Å |
| b | 6.802 ± 0.001 Å |
| c | 9.673 ± 0.003 Å |
| α | 90° |
| β | 108.07 ± 0.02° |
| γ | 90° |
| Cell volume | 467.065 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0386 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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