Information card for entry 2211631

Structure parameters

• Chemical name: (E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one
• Formula: C20 H16 O3
• Calculated formula: C20 H16 O3
• SMILES: O=C(/C=C/c1ccc(OC)c(O)c1)c1cc2ccccc2cc1
• Title of publication: (<i>E</i>)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one
• Authors of publication: Lu, Zhi-Ke; Duan, Xue-Min; Huang, Peng-Mian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5751 - o5752
• a: 14.7417 ± 0.0011 Å
• b: 6.1208 ± 0.0004 Å
• c: 32.941 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2972.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes