Information card for entry 2237554

Structure parameters

• Chemical name: (<i>Z</i>)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one
• Formula: C11 H12 O3
• Calculated formula: C11 H12 O3
• SMILES: O=C(C)C(=C\c1ccc(OC)cc1)\O
• Title of publication: (<i>Z</i>)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one
• Authors of publication: Fang, Wei; Hu, Jun-Ping; Wang, Mei; Chen, Mu-Zi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o359
• a: 18.8076 ± 0.0013 Å
• b: 5.3007 ± 0.0004 Å
• c: 10.1439 ± 0.0008 Å
• α: 90°
• β: 103.425 ± 0.007°
• γ: 90°
• Cell volume: 983.65 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes