Information card for entry 2237934

Structure parameters

• Chemical name: (<i>E</i>)-1-(3,5-Dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: COc1cccc(c1)/C=C/C(=O)c1cc(OC)cc(c1)OC
• Title of publication: (<i>E</i>)-1-(3,5-Dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Ahn, Seunghyun; Lee, Ha-Jin; Lim, Yoongho; Koh, Dongsoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o666
• a: 8.2402 ± 0.0012 Å
• b: 9.1449 ± 0.0014 Å
• c: 10.8876 ± 0.0016 Å
• α: 95.395 ± 0.003°
• β: 107.667 ± 0.003°
• γ: 102.837 ± 0.003°
• Cell volume: 750.61 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0846
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes