Information card for entry 2242841

Structure parameters

• Chemical name: 4-{(<i>E</i>)-2-[4-(Dimethylamino)phenyl]ethenyl}-1-phenyl-1λ^5^-pyridin-\ 1-ylium hexafluoro-λ^6^-phosphane
• Formula: C21 H21 F6 N2 P
• Calculated formula: C21 H21 F6 N2 P
• SMILES: c1ccccc1[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Crystal structure determination of two pyridine derivatives: 4-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium hexafluoro-λ^6^-phosphane and 4-[(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl]-1-phenyl-1λ^5^-pyridin-1-ylium hexafluoro-λ^6^-phosphane
• Authors of publication: Mani, J. Arul Martin; Mercina, M.; Inglebert, S. Antony; Narayanan, P.; Joseph, V.; Sagayaraj, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 288 - 291
• a: 19.4596 ± 0.0014 Å
• b: 10.7416 ± 0.0008 Å
• c: 11.9654 ± 0.0009 Å
• α: 90°
• β: 125.864 ± 0.002°
• γ: 90°
• Cell volume: 2026.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes