Information card for entry 1548795

Structure parameters

• Chemical name: (<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate
• Formula: C23 H17 F3 N2 O3
• Calculated formula: C23 H17 F3 N2 O3
• SMILES: FC(F)(F)C(=O)[O-].o1c(nc2c1cccc2)c1ccc(cc1)/C=C/c1c[n+](ccc1)C
• Title of publication: (<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate
• Authors of publication: Xia, Ying; Wang, Haiyan; Yu, Jianhua; Wu, Zhichao
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 12
• Pages of publication: x171733
• a: 19.817 ± 0.002 Å
• b: 8.4268 ± 0.0009 Å
• c: 12.4459 ± 0.0014 Å
• α: 90°
• β: 101.22 ± 0.001°
• γ: 90°
• Cell volume: 2038.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes