Information card for entry 4105350

Structure parameters

• Formula: C56 H42 Br16 N4 O18 Rh2
• Calculated formula: C56 H42 Br16 N4 O18 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O1)[C@@H](N1C(=O)c5c(Br)c(Br)c(Br)c(Br)c5C1=O)C(C)C)(OC(=[O]2)[C@@H](N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)C(C)C)([O]=C(O3)[C@@H](N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)C(C)C)(OC(=[O]4)[C@@H](N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)C(C)C)[O]1CCCC1)[OH2]
• Title of publication: Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids
• Authors of publication: Vincent N. G. Lindsay; Wei Lin; André B. Charette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16383 - 16385
• a: 19.177 ± 0.0003 Å
• b: 22.7929 ± 0.0003 Å
• c: 23.4525 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10251.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No