Information card for entry 2237663

Structure parameters

• Chemical name: (<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: C(=O)(/C=C/c1cc(OC)cc(OC)c1)c1ccccc1OC
• Title of publication: (<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Lim, Yoongho; Koh, Dongsoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o514
• a: 12.0925 ± 0.0018 Å
• b: 8.446 ± 0.0012 Å
• c: 15.109 ± 0.002 Å
• α: 90°
• β: 92.34 ± 0.003°
• γ: 90°
• Cell volume: 1541.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1222
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes