Information card for entry 7132744

Structure parameters

• Chemical name: (4-(diphenylamino)pyridin-1-ium)trifluoroborate
• Formula: C17 H14 B F3 N2
• Calculated formula: C17 H14 B F3 N2
• SMILES: F[B](F)(F)[n]1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: A multi-chromic boron trifluoride-pyridyl Lewis adduct.
• Authors of publication: McDonald, Peter W.; Ritchie, Chris
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 22
• Pages of publication: 3051 - 3054
• a: 8.359 ± 0.0002 Å
• b: 11.6452 ± 0.0002 Å
• c: 16.1214 ± 0.0003 Å
• α: 90.762 ± 0.002°
• β: 100.271 ± 0.002°
• γ: 94.709 ± 0.002°
• Cell volume: 1538.31 ± 0.05 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No