Information card for entry 4107492

Structure parameters

• Formula: C47 H62 F3 O11 P2 Rh S3
• Calculated formula: C47 H62 F3 O11 P2 Rh S3
• Title of publication: Diastereo- and Enantioselective Hydrogenative Aldol Coupling of Vinyl Ketones: Design of Effective Monodentate TADDOL-Like Phosphonite Ligands
• Authors of publication: Cisco Bee; Soo Bong Han; Abbas Hassan; Hiroki Iida; Michael J. Krische
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2746 - 2747
• a: 10.553 ± 0.0006 Å
• b: 10.553 ± 0.0006 Å
• c: 50.011 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5569.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.2592
• Weighted residual factors for all reflections included in the refinement: 0.274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No