Information card for entry 7133218

Structure parameters

• Common name: 9-phosphatriptycene-iminium bistriflimidate
• Chemical name: 9-phosphatriptycene-iminium bistriflimidate
• Formula: C27 H19 F6 N2 O4 P S2
• Calculated formula: C27 H19 F6 N2 O4 P S2
• 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: 8.3718 ± 0.0003 Å
• b: 17.3368 ± 0.0006 Å
• c: 20.1621 ± 0.0008 Å
• α: 113.925 ± 0.001°
• β: 91.4063 ± 0.0012°
• γ: 93.9353 ± 0.0011°
• Cell volume: 2664.18 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No