Information card for entry 7133215

Structure parameters

• Common name: N-phenyl-5λ^5^-9-phosphatriptycene-imine
• Chemical name: N-phenyl-5λ^5^-9-phosphatriptycene-imine
• Formula: C25 H18 N P
• Calculated formula: C25 H18 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: 8.9413 ± 0.0002 Å
• b: 13.6176 ± 0.0003 Å
• c: 15.5673 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.46 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No