Information card for entry 2230009

Structure parameters

• Chemical name: (2<i>E</i>)-1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C17 H16 O3
• Calculated formula: C17 H16 O3
• SMILES: Oc1ccc(cc1C(=O)/C=C/c1ccc(OC)cc1)C
• Title of publication: (2<i>E</i>)-1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1248 - o1249
• a: 12.699 ± 0.0018 Å
• b: 8.8022 ± 0.0013 Å
• c: 13.172 ± 0.002 Å
• α: 90°
• β: 105.565 ± 0.002°
• γ: 90°
• Cell volume: 1418.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes