Information card for entry 4107449

Structure parameters

• Formula: C34 H26 O2 S2
• Calculated formula: C34 H26 O2 S2
• SMILES: c1(S(=O)c2c(c3c(ccc4ccccc34)S(c3ccc(cc3)C)=O)c3ccccc3cc2)ccc(cc1)C
• 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: 11.698 ± 0.0002 Å
• b: 13.7152 ± 0.0003 Å
• c: 8.2423 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.4 ± 0.05 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No