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Information card for entry 4104911
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Coordinates | 4104911.cif |
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Common name | Potassium (R)-1,1'-binaphthyl-2,2'-disulfonate |
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Formula | C20 H12 K2 O7.5 S2 |
Calculated formula | C20 H12 K2 O7.5 S2 |
SMILES | [K+].[K+].c1(c(ccc2ccccc12)S(=O)(=O)[O-])c1c(ccc2ccccc12)S(=O)(=O)[O-].O.O |
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 | 2009 |
Journal volume | 131 |
Pages of publication | 12015 - 12015 |
a | 15.154 ± 0.004 Å |
b | 8.887 ± 0.002 Å |
c | 15.525 ± 0.003 Å |
α | 90° |
β | 93.895 ± 0.005° |
γ | 90° |
Cell volume | 2086 ± 0.8 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.06 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.1073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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