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Information card for entry 4126233
Preview
| Coordinates | 4126233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198013 (current) | 2017-06-21 | cif/ Adding structures of 4126233 via cif-deposit CGI script. |
4126233.cif |
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