Information card for entry 2228155

Structure parameters

• Common name: (E)-1-(2,4,6-trimethoxyphenyl)pent-1-en-3-one
• Chemical name: (<i>E</i>)-1-(2,4,6-Trimethoxyphenyl)pent-1-en-3-one
• Formula: C14 H18 O4
• Calculated formula: C14 H18 O4
• SMILES: CCC(=O)/C=C/c1c(OC)cc(OC)cc1OC
• Title of publication: (<i>E</i>)-1-(2,4,6-Trimethoxyphenyl)pent-1-en-3-one
• Authors of publication: Collas, Alain; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2525 - o2526
• a: 6.8626 ± 0.0008 Å
• b: 8.297 ± 0.001 Å
• c: 12.068 ± 0.002 Å
• α: 71.96 ± 0.01°
• β: 84.28 ± 0.01°
• γ: 84.9 ± 0.01°
• Cell volume: 648.88 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes