Information card for entry 2235340

Structure parameters

• Chemical name: (1<i>E</i>,4<i>E</i>)-1-(2-Nitrophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1- yl)penta-1,4-dien-3-one
• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• Title of publication: (1<i>E</i>,4<i>E</i>)-1-(2-Nitrophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one
• Authors of publication: Zou, Peng; Jin, Yi-Jun; Xiang, Liu-Fang; Sun, Dong-Ping; Yang, Shu-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1858
• a: 7.2941 ± 0.0006 Å
• b: 19.2984 ± 0.0015 Å
• c: 12.7491 ± 0.001 Å
• α: 90°
• β: 92.892 ± 0.002°
• γ: 90°
• Cell volume: 1792.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes