Information card for entry 4074819

Structure parameters

• Formula: C24 H28 B P Si
• Calculated formula: C24 H28 B P Si
• SMILES: [P@](c1cc2ccccc2c2ccccc12)(c1ccccc1)(C[Si](C)(C)C)[BH3]
• Title of publication: Carbosilane Dendrimers Peripherally Functionalized with P-Stereogenic Monophosphines. Catalytic Behavior of Their Allylpalladium Complexes in the Asymmetric Hydrovinylation of Styrene
• Authors of publication: Rodríguez, Lara-Isabel; Rossell, Oriol; Seco, Miquel; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1368 - 1376
• a: 10.373 ± 0.002 Å
• b: 9.943 ± 0.002 Å
• c: 11.265 ± 0.002 Å
• α: 90°
• β: 107.692 ± 0.004°
• γ: 90°
• Cell volume: 1106.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No