Information card for entry 4111992

Structure parameters

• Formula: C12 H12 F6 N2 O8 Rh2
• Calculated formula: C12 H12 F6 N2 O8 Rh2
• SMILES: C(C)#[N][Rh]1234[O]=C(C(F)(F)F)O[Rh]4([N]#CC)([O]=C(C(F)(F)F)O2)(OC(C)=[O]3)[O]=C(O1)C
• Title of publication: Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis
• Authors of publication: Yan Lou; Travis P. Remarchuk; E. J. Corey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 14223 - 14230
• a: 8.2651 ± 0.0019 Å
• b: 9.981 ± 0.002 Å
• c: 12.202 ± 0.003 Å
• α: 90°
• β: 97.301 ± 0.004°
• γ: 90°
• Cell volume: 998.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No