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Information card for entry 1574873
Preview
| Coordinates | 1574873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H52 Br4 Mn2 N8 O10 |
|---|---|
| Calculated formula | C58 H52 Br4 Mn2 N8 O10 |
| Title of publication | A Priori Design of [Mn(I)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives |
| Authors of publication | Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 14.471 ± 0.005 Å |
| b | 8.507 ± 0.003 Å |
| c | 23.459 ± 0.007 Å |
| α | 90° |
| β | 90.215 ± 0.007° |
| γ | 90° |
| Cell volume | 2887.9 ± 1.7 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| Space group number | 3 |
| Hermann-Mauguin space group symbol | P 1 2 1 |
| Hall space group symbol | P 2y |
| Residual factor for all reflections | 0.1088 |
| Residual factor for significantly intense reflections | 0.0809 |
| Weighted residual factors for significantly intense reflections | 0.1865 |
| Weighted residual factors for all reflections included in the refinement | 0.2002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300073 (current) | 2025-06-14 | cif/ Adding structures of 1574873, 1574874, 1574875 via cif-deposit CGI script. |
1574873.cif |
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