Information card for entry 2204285

Structure parameters

• Chemical name: (2S,3R,4R,5S)-3,4-O-isopropylidene-2-methyl-6,9-diazo-1-oxaspiro -[4.5]-decane-7,10-dione
• Formula: C11 H13 N2 O5
• Calculated formula: C11 H13 N2 O5
• SMILES: O=C1CNC(=O)[C@@]2(N1)O[C@H]([C@@H]1[C@H]2OC(O1)(C)C)C
• Title of publication: (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4-<i>O</i>-Isopropylidene-2-methyl-1-oxa-6,9-diazaspiro[4.5]decane-7,10-dione
• Authors of publication: David J. Watkin; Matthias Müller; Yves Blèriot; Michela I. Simone; George W. J. Fleet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1820 - o1822
• a: 11.1 ± 0.002 Å
• b: 7.994 ± 0.002 Å
• c: 13.895 ± 0.002 Å
• α: 90°
• β: 93 ± 0.02°
• γ: 90°
• Cell volume: 1231.3 ± 0.4 ų
• Cell temperature: 293 K
• 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 all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections: 0.1392
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0722
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes