Information card for entry 2229857

Structure parameters

• Chemical name: (2<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: Oc1ccc(cc1)C(=O)/C=C/c1cc(OC)c(OC)cc1
• Title of publication: (2<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Musthafa Khaleel, V.; Sarojini, B. K.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o813
• a: 15.1435 ± 0.0001 Å
• b: 8.4364 ± 0.0001 Å
• c: 22.9454 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2931.43 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes