Information card for entry 2214039

Structure parameters

• Chemical name: 1,3-bis(2-methylanilino)-1-phenylbutane(1+) hexafluorophosphate
• Formula: C24 H25 F6 N2 P
• Calculated formula: C24 H25 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[NH+](=C(C=C(Nc1ccccc1C)c1ccccc1)C)c1ccccc1C
• Title of publication: The protonated β-iminoamine 1,3-bis(2-methylanilino)-1-phenylbutane(1+) hexafluorophosphate
• Authors of publication: Najoua Belhaj Mbarek Elmkacher; Mohamed Rzaigui; Faouzi Bouachir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3075 - o3075
• a: 6.5352 ± 0.0002 Å
• b: 17.858 ± 0.0003 Å
• c: 20.4249 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2383.7 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes