Information card for entry 7133217

Structure parameters

• Common name: N-(ortho diisopropylphenyl)-5λ^5^-9-phosphatriptycene-imine
• Chemical name: N-(ortho diisopropylphenyl)-5λ^5^-9-phosphatriptycene-imine
• Formula: C31 H30 N P
• Calculated formula: C31 H30 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
• Journal volume: 60
• Journal issue: 55
• Pages of publication: 7073 - 7076
• a: 9.0484 ± 0.0003 Å
• b: 18.306 ± 0.0006 Å
• c: 14.4219 ± 0.0004 Å
• α: 90°
• β: 90.4144 ± 0.0018°
• γ: 90°
• Cell volume: 2388.78 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No