Information card for entry 4021081

Structure parameters

• Formula: C29 H28 Br2 Ni P2
• Calculated formula: C29 H28 Br2 Ni P2
• Title of publication: Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation
• Authors of publication: Gary A. Molander; Jason P. Burke; Patrick J. Carroll
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8062 - 8069
• a: 9.0346 ± 0.0015 Å
• b: 15.629 ± 0.003 Å
• c: 19.666 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2776.8 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0865
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No