Information card for entry 4108829

Structure parameters

• Formula: C77 H57 K3 N4 O23 S6
• Calculated formula: C77 H57 K3 N4 O23 S6
• Title of publication: Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction
• Authors of publication: Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16858 - 16860
• a: 11.3241 ± 0.0017 Å
• b: 20.604 ± 0.003 Å
• c: 35.073 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8183 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No