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Information card for entry 1554279
Preview
| Coordinates | 1554279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H9 N5 |
|---|---|
| Calculated formula | C16 H9 N5 |
| Title of publication | Metal-free aerobic oxidative direct C‒H amination of electron-deficient alkenes via photoredox catalysis |
| Authors of publication | Xin, Jing-Rui; He, Yan-Hong; Guan, Zhi |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | 1684 |
| a | 17.5111 ± 0.0007 Å |
| b | 18.0998 ± 0.0006 Å |
| c | 8.8623 ± 0.0003 Å |
| α | 90° |
| β | 98.023 ± 0.004° |
| γ | 90° |
| Cell volume | 2781.39 ± 0.17 Å3 |
| Cell temperature | 291.74 ± 0.1 K |
| Ambient diffraction temperature | 291.74 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.2017 |
| Weighted residual factors for all reflections included in the refinement | 0.2344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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 |
|---|---|---|---|
| 237090 (current) | 2019-11-24 | cif/ Adding structures of 1554279 via cif-deposit CGI script. |
1554279.cif |
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Users of the data should acknowledge the original authors of the
structural data.