Information card for entry 4106124

Structure parameters

• Formula: C20 H19.5 Cl2 N O1.25
• Calculated formula: C20 H19.5 Cl2 N O1.25
• Title of publication: Enantioselective Synthesis of β-Substituted Cyclic Ketones via Cobalt-Catalyzed Asymmetric Reductive Coupling of Alkynes with Alkenes
• Authors of publication: Chu-Hung Wei; Subramaniyan Mannathan; Chien-Hong Cheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6942 - 6944
• a: 38.458 ± 0.002 Å
• b: 5.8962 ± 0.0002 Å
• c: 18.4814 ± 0.0014 Å
• α: 90°
• β: 114.828 ± 0.009°
• γ: 90°
• Cell volume: 3803.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No