Information card for entry 2220682

Structure parameters

• Chemical name: 8-Phenyl-10-oxa-8-azatricyclo[4.3.0.1^2,5^]decane-7,9-dione
• Formula: C14 H13 N O3
• Calculated formula: C14 H13 N O3
• SMILES: N1(c2ccccc2)C(=O)[C@H]2[C@H]3O[C@H](CC3)[C@H]2C1=O
• Title of publication: 8-Phenyl-10-oxa-8-azatricyclo[4.3.0.1^2,5^]decane-7,9-dione
• Authors of publication: Zhu, Wen-Zhong; Lin, Qiu-Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o287
• a: 9.5914 ± 0.0004 Å
• b: 8.4345 ± 0.0003 Å
• c: 14.4101 ± 0.0006 Å
• α: 90°
• β: 93.468 ± 0.003°
• γ: 90°
• Cell volume: 1163.62 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.61
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes