Information card for entry 4111990

Structure parameters

• Formula: C34 H64 F6 N4 O13 Rh2 S2
• Calculated formula: C34 H64 F6 N4 O13 Rh2 S2
• SMILES: [Rh]1234([Rh]([O]=C(O4)C)(OC4=[N]2[C@@H]([C@H](N4S(=O)(=O)C(F)(F)F)C(C)(C)C)C(C)(C)C)([O](CC)CC)(OC(=[O]3)C)[N]2=C(O1)N(S(=O)(=O)C(F)(F)F)[C@@H]([C@H]2C(C)(C)C)C(C)(C)C)[OH]C.CO
• 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: 11.7119 ± 0.0018 Å
• b: 14.031 ± 0.002 Å
• c: 29.001 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4765.7 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No