Information card for entry 4071976

Structure parameters

• Formula: C43 H0 Br2 F6 N2 P Pd Sb
• Calculated formula: C43 H40 Br2 F6 N2 P Pd Sb
• 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: 10.3604 ± 0.0009 Å
• b: 19.119 ± 0.0006 Å
• c: 22.51 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4458.8 ± 0.6 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for significantly intense reflections: 1.92
• Goodness-of-fit parameter for all reflections included in the refinement: 1.79
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No