Information card for entry 1552160

Structure parameters

• Formula: C30 H46 P2
• Calculated formula: C30 H46 P2
• Title of publication: A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation
• Authors of publication: Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 5.9448 ± 0.0005 Å
• b: 8.5877 ± 0.0007 Å
• c: 14.1215 ± 0.0011 Å
• α: 91.241 ± 0.001°
• β: 100.093 ± 0.001°
• γ: 91.146 ± 0.001°
• Cell volume: 709.4 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No