Information card for entry 2217063

Structure parameters

• Chemical name: 1,3-Bis(2,6-diisopropylanilino)-1-phenylbutylium hexafluorophosphate
• Formula: C34 H45 F6 N2 P
• Calculated formula: C34 H45 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[NH+](=C(C=C(Nc1c(cccc1C(C)C)C(C)C)c1ccccc1)/C)\c1c(cccc1C(C)C)C(C)C
• Title of publication: 1,3-Bis(2,6-diisopropylanilino)-1-phenylbutylium hexafluoridophosphate
• Authors of publication: Najoua Belhaj Mbarek Elmkacher; Mohamed Rzaigui; Faouzi Bouachir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o248 - o248
• a: 12.4688 ± 0.0002 Å
• b: 15.6981 ± 0.0002 Å
• c: 17.4329 ± 0.0003 Å
• α: 90°
• β: 95.563 ± 0.003°
• γ: 90°
• Cell volume: 3396.18 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes