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Information card for entry 1574875
Preview
| Coordinates | 1574875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 O |
|---|---|
| Calculated formula | C14 H14 O |
| 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 | 5.5996 ± 0.0014 Å |
| b | 8.103 ± 0.002 Å |
| c | 23.254 ± 0.006 Å |
| α | 91.263 ± 0.008° |
| β | 91.912 ± 0.007° |
| γ | 91.077 ± 0.008° |
| Cell volume | 1054.1 ± 0.5 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1669 |
| Residual factor for significantly intense reflections | 0.0977 |
| Weighted residual factors for significantly intense reflections | 0.2414 |
| Weighted residual factors for all reflections included in the refinement | 0.297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300073 (current) | 2025-06-14 | cif/ Adding structures of 1574873, 1574874, 1574875 via cif-deposit CGI script. |
1574875.cif |
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Users of the data should acknowledge the original authors of the
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