Information card for entry 2239103

Structure parameters

• Chemical name: (2<i>Z</i>,4<i>E</i>)-1-(5-Fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-3-hydroxypenta-2,4-dien-1-one
• Formula: C17 H12 F2 O3
• Calculated formula: C17 H12 F2 O3
• SMILES: OC(=C\C(=O)c1cc(F)ccc1O)/C=C/c1ccc(cc1)F
• Title of publication: (2<i>Z</i>,4<i>E</i>)-1-(5-Fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-3-hydroxypenta-2,4-dien-1-one
• Authors of publication: Chen, Jing-Wei; He, Zhuo; Wu, Zhen; Fang, Mei-Juan; Fang, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o88
• a: 6.8275 ± 0.0018 Å
• b: 14.004 ± 0.004 Å
• c: 14.267 ± 0.004 Å
• α: 90°
• β: 91.293 ± 0.005°
• γ: 90°
• Cell volume: 1363.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes