Information card for entry 4122165

Structure parameters

• Formula: C32 H51 P
• Calculated formula: C32 H51 P
• 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: 12.3099 ± 0.0014 Å
• b: 14.2308 ± 0.0016 Å
• c: 18.822 ± 0.002 Å
• α: 75.22 ± 0.002°
• β: 79.664 ± 0.002°
• γ: 88.112 ± 0.002°
• Cell volume: 3136.1 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1113
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No