Information card for entry 2231374

Structure parameters

• Common name: chalcone
• Chemical name: (<i>E</i>)-1-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: COc1ccc(cc1)C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
• Title of publication: (<i>E</i>)-1-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Carvalho-Jr, P. S.; Sallum, L. O.; Cidade, A. F.; Aquino, G. L. B.; Napolitano, H. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2126
• a: 7.577 ± 0.0001 Å
• b: 16.253 ± 0.0003 Å
• c: 14.085 ± 0.0003 Å
• α: 90°
• β: 107.528 ± 0.001°
• γ: 90°
• Cell volume: 1654.02 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0705
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes