Information card for entry 4104070

Structure parameters

• Chemical name: anti-tris[(S)-2'-(1-adamantylcarbonyl)oxy-1,1'-binaphthyl-2-yl]phosphite
• Formula: C93 H81 O9 P
• Calculated formula: C93 H81 O9 P0.99
• Title of publication: Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis
• Authors of publication: Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4136 - 4142
• a: 23.8503 ± 0.0006 Å
• b: 23.8503 ± 0.0006 Å
• c: 10.7465 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5294 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No