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Information card for entry 1574874
Preview
| Coordinates | 1574874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | soumen |
|---|---|
| Formula | C13 H21 N O3 S |
| Calculated formula | C13 H21 N O3 S |
| 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 | 6.191 ± 0.0003 Å |
| b | 12.6923 ± 0.0006 Å |
| c | 18.1436 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1425.69 ± 0.12 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0363 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0718 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
1574874.cif |
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Users of the data should acknowledge the original authors of the
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