Information card for entry 2202950

Structure parameters

• Chemical name: 1-(4-Hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: O=C(/C=C/c1ccc(OC)c(OC)c1)c1ccc(O)cc1
• Title of publication: 3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: T. Ravishankar; K.Chinnakali; S. Nanjundan; C. S. Jone Selvamalar; Akilan Ramnathan; Anwar Usman; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1143 - o1145
• a: 10.575 ± 0.0006 Å
• b: 12.8709 ± 0.0007 Å
• c: 11.0612 ± 0.0006 Å
• α: 90°
• β: 103.071 ± 0.001°
• γ: 90°
• Cell volume: 1466.53 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes