Information card for entry 4102211

Structure parameters

• Formula: C28 H50 Cl2 O7 Rh2 S4
• Calculated formula: C28 H50 Cl2 O7 Rh2 S4
• SMILES: [Rh]12([Cl][Rh]3([S](=O)(C(C)(C)C)c4ccccc4[S]3(=O)C(C)(C)C)[Cl]2)[S](=O)(C(C)(C)C)c2ccccc2[S]1(=O)C(C)(C)C.O.O.O
• Title of publication: AC2-Symmetric Chiral Bis-Sulfoxide Ligand in a Rhodium-Catalyzed Reaction: Asymmetric 1,4-Addition of Sodium Tetraarylborates to Chromenones
• Authors of publication: Jun Chen; Junmin Chen; Feng Lang; Xiangyang Zhang; Linfeng Cun; Jin Zhu; Jingen Deng; Jian Liao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4552 - 4553
• a: 14.785 ± 0.003 Å
• b: 15.378 ± 0.003 Å
• c: 16.624 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3779.7 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0869
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No