Information card for entry 4122160

Structure parameters

• Formula: C20 H27 P
• Calculated formula: C20 H27 P
• SMILES: P(C(C)(C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• 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: 15.256 ± 0.005 Å
• b: 8.081 ± 0.003 Å
• c: 16.253 ± 0.005 Å
• α: 90°
• β: 117.473 ± 0.005°
• γ: 90°
• Cell volume: 1777.8 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No