Information card for entry 4121886

Structure parameters

• Formula: C29 H36 N2 O8 Rh2
• Calculated formula: C29 H36 N2 O8 Rh2
• SMILES: [Rh]1234[Rh]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O3)C)(OC(=[O]4)C)=C1N(C=CN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
• Title of publication: Rh(NHC)-Catalyzed Direct and Selective Arylation of Quinolines at the 8-Position
• Authors of publication: Kwak, Jaesung; Kim, Min; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Journal issue: 11
• Pages of publication: 3780 - 3783
• a: 8.3414 ± 0.0002 Å
• b: 16.7694 ± 0.0004 Å
• c: 21.3895 ± 0.0005 Å
• α: 94.67 ± 0.001°
• β: 91.852 ± 0.001°
• γ: 103.881 ± 0.001°
• Cell volume: 2890.79 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4105786
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No