Information card for entry 4107450

Structure parameters

• Formula: C73.33 H62.67 Cl2 O5.33 Rh2 S4
• Calculated formula: C68 H52 Cl2 O4 Rh2 S4
• SMILES: c12ccc3ccccc3c2c2c3ccccc3ccc2[S@](=O)(c2ccc(cc2)C)[Rh]2([S@]1(c1ccc(cc1)C)=O)[Cl][Rh]1([S@@](c3ccc4ccccc4c3c3c4ccccc4ccc3[S@]1(=O)c1ccc(cc1)C)(=O)c1ccc(cc1)C)[Cl]2
• Title of publication: A Chiral Bis-Sulfoxide Ligand in Late-Transition Metal Catalysis; Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to Electron-Deficient Olefins
• Authors of publication: Ronaldo Mariz; Xinjun Luan; Michele Gatti; Anthony Linden; Reto Dorta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2172 - 2173
• a: 28.7957 ± 0.0006 Å
• b: 28.7957 ± 0.0006 Å
• c: 28.7957 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23877.2 ± 0.9 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No