Information card for entry 4071975

Structure parameters

• Formula: C28 H27 Br2 Cl2 N2 P Pd
• Calculated formula: C28 H27 Br2 Cl2 N2 P Pd
• Title of publication: Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions
• Authors of publication: Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5997
• a: 8.0388 Å
• b: 8.1586 Å
• c: 12.571 Å
• α: 91.974°
• β: 108.419°
• γ: 109.78°
• Cell volume: 726.797 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No