Information card for entry 4072075

Structure parameters

• Formula: C12 H20 B P Si
• Calculated formula: C12 H20 B P Si
• SMILES: [P]12(CC[Si](CC1)(CC2)c1ccccc1)[BH3]
• Title of publication: Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane
• Authors of publication: Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5494
• a: 6.3632 ± 0.0003 Å
• b: 7.6482 ± 0.0003 Å
• c: 13.6844 ± 0.0007 Å
• α: 90°
• β: 97.056 ± 0.002°
• γ: 90°
• Cell volume: 660.94 ± 0.05 ų
• Cell temperature: 120.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No