Information card for entry 7155242

Structure parameters

• Common name: (2-aminobiphenyl)(xantphos)palladium(II) mesylate
• Formula: C55 H51 Cl6 N O4 P2 Pd S
• Calculated formula: C55 H51 Cl6 N O4 P2 Pd S
• Title of publication: Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.
• Authors of publication: Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 34
• Pages of publication: 8123 - 8140
• a: 9.601 ± 0.0012 Å
• b: 14.5905 ± 0.0018 Å
• c: 20.173 ± 0.003 Å
• α: 82.894 ± 0.002°
• β: 81.824 ± 0.002°
• γ: 77.999 ± 0.002°
• Cell volume: 2723.1 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2234
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No