Information card for entry 4126233

Structure parameters

• Common name: (R)-BINSA-trimer potasium magnesium salt
• Formula: C120 H108 K3.5 Mg1.5 O21.5 S6
• Calculated formula: C120 H108 K3.5 Mg1.5 O21.5 S6
• Title of publication: Enantioselective Cycloaddition of Styrenes with Aldimines Catalyzed by a Chiral Magnesium Potassium Binaphthyldisulfonate Cluster as a Chiral Brønsted Acid Catalyst.
• Authors of publication: Hatano, Manabu; Nishikawa, Keisuke; Ishihara, Kazuaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 19.261 ± 0.002 Å
• b: 25.28 ± 0.003 Å
• c: 32.387 ± 0.004 Å
• α: 90°
• β: 104.025 ± 0.002°
• γ: 90°
• Cell volume: 15300 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1513
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2703
• Weighted residual factors for all reflections included in the refinement: 0.2849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.637
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No