Information card for entry 2000054

Structure parameters

• 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 ų
• 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