Information card for entry 4112776

Structure parameters

• Formula: C46 H48 F6 N6 O10 Rh2 S2
• Calculated formula: C46 H48 F6 N6 O10 Rh2 S2
• SMILES: [Rh]1234([Rh](OC5=[N]4[C@@H]([C@H](N5S(=O)(=O)C(F)(F)F)c4ccccc4)c4ccccc4)([O]=C(O2)C(C)(C)C)(OC(=[O]3)C(C)(C)C)([N]2=C(O1)N(S(=O)(=O)C(F)(F)F)[C@@H]([C@H]2c1ccccc1)c1ccccc1)[N]#CC)[N]#CC
• Title of publication: A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications
• Authors of publication: Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 8916 - 8918
• a: 10.2661 ± 0.0018 Å
• b: 20.534 ± 0.004 Å
• c: 25.037 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5277.9 ± 1.6 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: 0.084
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.411
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No