Information card for entry 2223630

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(Pentafluorophenyl)ethenyl]-8-quinolyl acetate
• Formula: C19 H10 F5 N O2
• Calculated formula: C19 H10 F5 N O2
• SMILES: CC(=O)Oc1cccc2c1nc(/C=C/c1c(F)c(F)c(c(c1F)F)F)cc2
• Title of publication: (<i>E</i>)-2-[2-(Pentafluorophenyl)ethenyl]-8-quinolyl acetate
• Authors of publication: Zhang, Li-Yan; Huo, Yan-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2870
• a: 12.3149 ± 0.0013 Å
• b: 8.673 ± 0.0009 Å
• c: 15.0491 ± 0.0016 Å
• α: 90°
• β: 93.786 ± 0.002°
• γ: 90°
• Cell volume: 1603.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes