Information card for entry 2219870

Structure parameters

• Chemical name: 8,9-Isopropylidenedioxy-3-p-tolyl-1,6-dioxa-3-azaspiro[4.5]decane-2,10-dione
• Formula: C17 H19 N O6
• Calculated formula: C17 H19 N O6
• SMILES: N1(c2ccc(C)cc2)C(=O)O[C@]2(OC[C@@H]3OC(O[C@@H]3C2=O)(C)C)C1
• Title of publication: 8,9-Isopropylidenedioxy-3-<i>p</i>-tolyl-1,6-dioxa-3-azaspiro[4.5]decane-2,10-dione
• Authors of publication: Ling, Chun-Sheng; Wu, Qiang; Li, Shan-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2181
• a: 11.1268 ± 0.0008 Å
• b: 6.3163 ± 0.0005 Å
• c: 11.8697 ± 0.0008 Å
• α: 90°
• β: 94.084 ± 0.001°
• γ: 90°
• Cell volume: 832.09 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0513
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes