Information card for entry 2235173

Structure parameters

• Chemical name: (1<i>E</i>,4<i>E</i>)-1-(Thiophen-2-yl)-5-(2,6,6-trimethylcyclohex-1-en-1- yl)penta-1,4-dien-3-one
• Formula: C18 H22 O S
• Calculated formula: C18 H22 O S
• Title of publication: (1<i>E</i>,4<i>E</i>)-1-(Thiophen-2-yl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one
• Authors of publication: Zhang, Ya-Li; Xiang, Liu-Fang; Zou, Peng; Jin, Yi-Jun; Yang, Shu-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1859
• a: 8.3401 ± 0.0017 Å
• b: 6.9084 ± 0.0014 Å
• c: 13.994 ± 0.003 Å
• α: 90°
• β: 96.082 ± 0.004°
• γ: 90°
• Cell volume: 801.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes