Information card for entry 2221171

Structure parameters

• Chemical name: 4-Tosyl-1-oxa-4-azaspiro[4.5]deca-6,9-dien-8-one
• Formula: C15 H15 N O4 S
• Calculated formula: C15 H15 N O4 S
• SMILES: S(=O)(=O)(N1C2(OCC1)C=CC(=O)C=C2)c1ccc(cc1)C
• Title of publication: 4-Tosyl-1-oxa-4-azaspiro[4.5]deca-6,9-dien-8-one
• Authors of publication: Yin, Ping; Zhang, Wen-Wen; Yin, Hai-Bin; He, Ling; Huang, Wen-Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o649
• a: 11.882 ± 0.003 Å
• b: 14.973 ± 0.006 Å
• c: 8.369 ± 0.005 Å
• α: 90°
• β: 107 ± 0.03°
• γ: 90°
• Cell volume: 1423.9 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes