Information card for entry 7133208

Structure parameters

• Common name: N-(p-tritylphenyl)-9-phosphatriptycene-iminium tetrafluoroborate
• Chemical name: N-(p-tritylphenyl)-9-phosphatriptycene-iminium tetrafluoroborate
• Formula: C44 H33 B F4 N P
• Calculated formula: C44 H33 B F4 N P
• Title of publication: Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.
• Authors of publication: Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 12.867 ± 0.004 Å
• b: 13.069 ± 0.004 Å
• c: 21.505 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3616.3 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1643
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No