Information card for entry 2240133

Structure parameters

• Chemical name: (2<i>E</i>)-3-(3-Ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: CCOc1c(ccc(c1)/C=C/C(=O)c1ccc(cc1)O)O
• Title of publication: Crystal structure of (2<i>E</i>)-3-(3-ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1202 - o1203
• a: 16.367 ± 0.0004 Å
• b: 10.5512 ± 0.0003 Å
• c: 16.6153 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2869.32 ± 0.13 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: 0.0756
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.724
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes