Information card for entry 2209748

Structure parameters

• Chemical name: (E)-3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: c1(/C=C/C(=O)c2ccc(OC)cc2)ccc(O)cc1
• Title of publication: (E)-3-(4-Hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang; Sheng, Liang-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3324 - o3325
• a: 13.3482 ± 0.0009 Å
• b: 7.6922 ± 0.0005 Å
• c: 25.3822 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2606.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1235
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes