Information card for entry 4122159

Structure parameters

• Formula: C16 H19 P
• Calculated formula: C16 H19 P
• SMILES: P(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.
• Authors of publication: McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 28
• Pages of publication: 10166 - 10172
• a: 7.907 ± 0.003 Å
• b: 12.982 ± 0.006 Å
• c: 13.323 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1367.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No