Information card for entry 2227308

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Ethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C17 H16 O3
• Calculated formula: C17 H16 O3
• SMILES: O=C(c1c(O)cccc1)/C=C/c1ccc(OCC)cc1
• Title of publication: (<i>E</i>)-3-(4-Ethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Horkaew, Jirapa; Chantrapromma, Suchada; Saewan, Nisakorn; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2346 - o2347
• a: 6.8305 ± 0.0002 Å
• b: 6.879 ± 0.0002 Å
• c: 14.8188 ± 0.0003 Å
• α: 88.533 ± 0.001°
• β: 80.38 ± 0.001°
• γ: 77.469 ± 0.001°
• Cell volume: 670.11 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes