Information card for entry 1548785

Structure parameters

• Chemical name: (<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate
• Formula: C21 H17 F6 N2 O P
• Calculated formula: C21 H17 F6 N2 O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].o1c(c2ccc(/C=C/c3c[n+](ccc3)C)cc2)nc2c1cccc2
• Title of publication: (<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate
• Authors of publication: Xu, Hong-Kang; Kong, Lin; Li, Fei
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 12
• Pages of publication: x171735
• a: 6.717 ± 0.002 Å
• b: 8.155 ± 0.003 Å
• c: 19.936 ± 0.006 Å
• α: 85.032 ± 0.003°
• β: 85.188 ± 0.003°
• γ: 65.893 ± 0.003°
• Cell volume: 991.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes