Information card for entry 7106553

Structure parameters

• Formula: C20 H27 Br N2 O2 Pd
• Calculated formula: C20 H27 Br N2 O2 Pd
• Title of publication: A highly active and selective palladium pincer catalyst for the formation of ?-aryl ketones via cross-coupling
• Authors of publication: Alejandro Bugarin; Brian T. Connell
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7218
• a: 12.6447 ± 0.0012 Å
• b: 21.628 ± 0.002 Å
• c: 15.6491 ± 0.0015 Å
• α: 90°
• β: 103.716 ± 0.006°
• γ: 90°
• Cell volume: 4157.7 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No