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Information card for entry 7160586
Preview
| Coordinates | 7160586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H13 N O2 |
|---|---|
| Calculated formula | C13 H13 N O2 |
| Title of publication | Deprotonation of isoazatruxene enables photocatalytic arylation and phosphorylation of (hetero)aryl halides. |
| Authors of publication | Zhou, Cen; Chen, Xi-Xian; An, Bohang; Wu, Ling-Wei; Cui, Hao; Zhang, Xiao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 11.598 ± 0.0004 Å |
| b | 6.6697 ± 0.0002 Å |
| c | 14.8861 ± 0.0005 Å |
| α | 90° |
| β | 100.902 ± 0.003° |
| γ | 90° |
| Cell volume | 1130.73 ± 0.07 Å3 |
| Cell temperature | 298.81 ± 0.1 K |
| Ambient diffraction temperature | 298.81 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1689 |
| Weighted residual factors for all reflections included in the refinement | 0.1732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300026 (current) | 2025-06-10 | cif/ Adding structures of 7160586 via cif-deposit CGI script. |
7160586.cif |
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Users of the data should acknowledge the original authors of the
structural data.