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Information card for entry 1563325
Preview
| Coordinates | 1563325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H31 N O5 |
|---|---|
| Calculated formula | C33 H31 N O5 |
| Title of publication | Photomediated core modification of organic photoredox catalysts in radical addition: mechanism and applications |
| Authors of publication | Zhang, Yajun; Jiang, Dandan; Fang, Zheng; Zhu, Ning; Sun, Naixian; He, Wei; Liu, Chengkou; Zhao, Lili; Guo, Kai |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 13.2493 ± 0.0006 Å |
| b | 16.1549 ± 0.0009 Å |
| c | 13.9996 ± 0.0007 Å |
| α | 90° |
| β | 113.515 ± 0.002° |
| γ | 90° |
| Cell volume | 2747.6 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1267 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.1774 |
| Weighted residual factors for all reflections included in the refinement | 0.2116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266373 (current) | 2021-06-11 | cif/ Adding structures of 1563325 via cif-deposit CGI script. |
1563325.cif |
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Users of the data should acknowledge the original authors of the
structural data.