Information card for entry 2223067

Structure parameters

• Common name: Perillartine
• Chemical name: 4-(1-Methylvinyl)cyclohexene-1-carbaldehyde oxime
• Formula: C10 H15 N O
• Calculated formula: C10 H15 N O
• SMILES: O/N=C/C1=CC[C@H](CC1)C(=C)C
• Title of publication: Perillartine
• Authors of publication: Yuan, Xian-You; Zhang, Min; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2149
• a: 7.2679 ± 0.0006 Å
• b: 8.1702 ± 0.0007 Å
• c: 8.9426 ± 0.0008 Å
• α: 105.15 ± 0.001°
• β: 95.658 ± 0.001°
• γ: 104.602 ± 0.001°
• Cell volume: 488.25 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes