Information card for entry 4123660

Structure parameters

• Formula: C52 H50 O2 P2 Pd Si
• Calculated formula: C52 H50 O2 P2 Pd Si
• Title of publication: Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.
• Authors of publication: Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 19
• Pages of publication: 6200 - 6218
• a: 12.5239 ± 0.0003 Å
• b: 12.6398 ± 0.0004 Å
• c: 15.2157 ± 0.0004 Å
• α: 90.909 ± 0.002°
• β: 105.17 ± 0.001°
• γ: 103.595 ± 0.002°
• Cell volume: 2251.87 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No