Information card for entry 2211692

Structure parameters

• Chemical name: 2-(Diphenylphosphinoylmethyl)pyridinium tetrafluoroborate
• Formula: C18 H17 B F4 N O P
• Calculated formula: C18 H17 B F4 N O P
• SMILES: P(=O)(Cc1cccc[nH+]1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: 2-(Diphenylphosphinoylmethyl)pyridinium tetrafluoroborate
• Authors of publication: Klausmeyer, Kevin K.; Hung, Fernando
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5560 - o5562
• a: 16.7528 ± 0.0015 Å
• b: 13.9287 ± 0.0017 Å
• c: 15.661 ± 0.002 Å
• α: 90°
• β: 95.314 ± 0.004°
• γ: 90°
• Cell volume: 3638.7 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes