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Information card for entry 7124300
Preview
| Coordinates | 7124300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 N3 O |
|---|---|
| Calculated formula | C15 H11 N3 O |
| Title of publication | tert-Butyl peroxide (TBHP)/KI-mediated dual C(sp2)-H bond amination of arylamines with α-diazo carbonyls toward 1,2,4-benzotriazines |
| Authors of publication | Jiang, Bo; Zhang, Tian-Shu; Zhang, Hongping; Fu, Rong; Wang, Jianyi; Hao, Wen-Juan; Tu, Shu-Jiang |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 7.647 ± 0.007 Å |
| b | 21.749 ± 0.019 Å |
| c | 7.647 Å |
| α | 90° |
| β | 90.142 ± 0.001° |
| γ | 90° |
| Cell volume | 1271.8 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.1277 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219300 (current) | 2019-10-12 | cif/ Adding structures of 7124300 via cif-deposit CGI script. |
7124300.cif |
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Users of the data should acknowledge the original authors of the
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