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Information card for entry 7123620
Preview
| Coordinates | 7123620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H33 Cl2 Mn N2 O6 |
|---|---|
| Calculated formula | C27 H33 Cl2 Mn N2 O6 |
| Title of publication | An Effective cis-β-Octahedral Mn(III) SALPN Catalyst for the Mukaiyama-Isayama Hydration of α,β-Unsaturated Esters |
| Authors of publication | Rizzacasa, Mark A.; Donnelly, Paul Stephen; North, Andrea J.; Radjah, Natalia Caren; Ricca, Michael; Robertson, Angus Michael; White, Jonathan |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 7.9107 ± 0.0004 Å |
| b | 11.7226 ± 0.0007 Å |
| c | 15.1375 ± 0.0007 Å |
| α | 85.161 ± 0.004° |
| β | 87.054 ± 0.004° |
| γ | 87.105 ± 0.004° |
| Cell volume | 1395.4 ± 0.13 Å3 |
| Cell temperature | 130.01 ± 0.1 K |
| Ambient diffraction temperature | 130.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123620.cif |
| 215763 | 2019-06-08 | cif/ Adding structures of 7123620, 7123621 via cif-deposit CGI script. |
7123620.cif |
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Users of the data should acknowledge the original authors of the
structural data.