Information card for entry 4119551

Structure parameters

• Formula: C8 H11.56 Cl0.89 N0.89 O3.56 Rh0.89
• Calculated formula: C8 H11.5556 Cl0.888889 N0.888889 O3.55556 Rh0.888889
• Title of publication: Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones
• Authors of publication: Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 4992 - 4995
• a: 19.636 ± 0.0004 Å
• b: 12.1674 ± 0.0002 Å
• c: 11.4299 ± 0.0002 Å
• α: 90°
• β: 119.202 ± 0.003°
• γ: 90°
• Cell volume: 2383.75 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for all reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9942
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No