Information card for entry 2235900

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(3-Fluorophenyl)ethenyl]quinolin-8-yl acetate
• Formula: C19 H14 F N O2
• Calculated formula: C19 H14 F N O2
• SMILES: O(c1c2nc(/C=C/c3cc(F)ccc3)ccc2ccc1)C(=O)C
• Title of publication: (<i>E</i>)-2-[2-(3-Fluorophenyl)ethenyl]quinolin-8-yl acetate
• Authors of publication: Huo, Yan-Ping; Nie, Xiao-Li; Fang, Xiao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2420
• a: 17.628 ± 0.003 Å
• b: 5.2641 ± 0.0009 Å
• c: 16.062 ± 0.003 Å
• α: 90°
• β: 100.528 ± 0.002°
• γ: 90°
• Cell volume: 1465.4 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1343
• 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