Information card for entry 4107818

Structure parameters

• Formula: C35 H47 Cl3 N O2 P Pd
• Calculated formula: C34.5 H46 Cl2 N O2 P Pd
• Title of publication: A New Class of Easily Activated Palladium Precatalysts for Facile C-N Cross-Coupling Reactions and the Low Temperature Oxidative Addition of Aryl Chlorides
• Authors of publication: Mark R. Biscoe; Brett P. Fors; Stephen L. Buchwald
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6686 - 6687
• a: 10.2166 ± 0.0005 Å
• b: 10.2662 ± 0.0005 Å
• c: 18.1889 ± 0.0009 Å
• α: 82.596 ± 0.001°
• β: 81.632 ± 0.001°
• γ: 75.876 ± 0.001°
• Cell volume: 1821.7 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No