Information card for entry 2217873

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-Fluorobenzylidene)butanoic acid
• Formula: C11 H11 F O2
• Calculated formula: C11 H11 F O2
• SMILES: Fc1c(/C=C(/C(=O)O)CC)cccc1
• Title of publication: (<i>E</i>)-2-(2-Fluorobenzylidene)butanoic acid
• Authors of publication: Niaz, Muhammad; Tahir, M. Nawaz; Zia-ur-Rehman; Ali, Saqib; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o733
• a: 4.1895 ± 0.0004 Å
• b: 17.4362 ± 0.0019 Å
• c: 13.8134 ± 0.0015 Å
• α: 90°
• β: 96.719 ± 0.003°
• γ: 90°
• Cell volume: 1002.12 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKαradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes