Information card for entry 4107037

Structure parameters

• Formula: C67.75 H61.5 B Cl3.5 F4 N4 O2 P2 Rh
• Calculated formula: C67.75 H61.5 B Cl3.5 F4 N4 O2 P2 Rh
• Title of publication: "Cofactor"-Controlled Enantioselective Catalysis
• Authors of publication: Paweł Dydio; Christophe Rubay; Tendai Gadzikwa; Martin Lutz; Joost N. H. Reek
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17176 - 17179
• a: 13.2305 ± 0.0009 Å
• b: 19.0703 ± 0.0016 Å
• c: 26.5694 ± 0.0017 Å
• α: 78.993 ± 0.003°
• β: 83.285 ± 0.003°
• γ: 82.354 ± 0.003°
• Cell volume: 6493 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No