Information card for entry 2239496

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: COc1cc(/C=C/C(=O)c2ccc(cc2)O)ccc1O
• Title of publication: (<i>E</i>)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Usha, G.; Jovita, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o593 - o594
• a: 16.2808 ± 0.0008 Å
• b: 10.4348 ± 0.0005 Å
• c: 16.2905 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2767.5 ± 0.2 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: 0.089
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes