Information card for entry 4102285

Structure parameters

• Formula: C68 H72 Cl2 Cu2 P4
• Calculated formula: C68 H72 Cl2 Cu2 P4
• Title of publication: Direct Catalytic Asymmetric Addition of Allyl Cyanide to Ketones via Soft Lewis Acid/Hard Brønsted Base/Hard Lewis Base Catalysis
• Authors of publication: Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5522 - 5531
• a: 22.9187 ± 0.0005 Å
• b: 22.9187 ± 0.0005 Å
• c: 61.6463 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28042.6 ± 1 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.629
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No