Information card for entry 7133203

Structure parameters

• Common name: phosphatriptycene sulfide
• Chemical name: phosphatriptycene sulfide
• Formula: C19 H13 P S
• Calculated formula: C19 H13 P S
• 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: 14.248 ± 0.0003 Å
• b: 13.5359 ± 0.0003 Å
• c: 15.8127 ± 0.0003 Å
• α: 90°
• β: 90.772 ± 0.001°
• γ: 90°
• Cell volume: 3049.35 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No