Information card for entry 4123686

Structure parameters

• Formula: C44 H46 O P2 Pd Si
• Calculated formula: C44 H46 O P2 Pd Si
• SMILES: C1CC[P](c2ccccc2)(c2ccccc2)[Pd](c2ccccc2C)(O[Si](/C=C/c2ccccc2)(C)C)[P]1(c1ccccc1)c1ccccc1
• Title of publication: Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.
• Authors of publication: Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; 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: 6192 - 6199
• a: 16.0574 ± 0.0005 Å
• b: 19.2846 ± 0.0005 Å
• c: 25.5466 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7910.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No