Information card for entry 2231457

Structure parameters

• Chemical name: 8-Phenyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>- pyrrolo[2,1-<i>c</i>][1,4]oxazin-6-one
• Formula: C13 H15 N O2
• Calculated formula: C13 H15 N O2
• Title of publication: 8-Phenyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]oxazin-6-one
• Authors of publication: Małecka, Magdalena; Pasternak, Beata; Leśniak, Stanisław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2390
• a: 13.2737 ± 0.0012 Å
• b: 7.1066 ± 0.0004 Å
• c: 11.9233 ± 0.001 Å
• α: 90°
• β: 103.917 ± 0.007°
• γ: 90°
• Cell volume: 1091.72 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes