Information card for entry 4111993

Structure parameters

• Formula: C78 H69 F12 N15 O12 Rh2 S4
• Calculated formula: C78 H69 F12 N15 O12 Rh2 S4
• SMILES: [Rh]1234([Rh](OC5=[N]3[C@@H]([C@H](N5S(=O)(=O)C(F)(F)F)c3ccccc3)c3ccccc3)(OC3=[N]4[C@@H]([C@H](N3S(=O)(=O)C(F)(F)F)c3ccccc3)c3ccccc3)([N]3=C(O1)N(S(=O)(=O)C(F)(F)F)[C@@H]([C@H]3c1ccccc1)c1ccccc1)([N]1=C(O2)N(S(=O)(=O)C(F)(F)F)[C@@H]([C@H]1c1ccccc1)c1ccccc1)[N]#CC)[N]#CC.N#CC.N#CC.N#CC.N#CC.N#CC
• 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: 14.513 ± 0.002 Å
• b: 17.419 ± 0.002 Å
• c: 17.74 ± 0.003 Å
• α: 90°
• β: 102.554 ± 0.003°
• γ: 90°
• Cell volume: 4377.5 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No