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Information card for entry 1554350
Preview
| Coordinates | 1554350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H33 N O3 |
|---|---|
| Calculated formula | C34 H33 N O3 |
| Title of publication | Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect |
| Authors of publication | Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 15 |
| Pages of publication | 2296 |
| a | 9.4355 ± 0.0005 Å |
| b | 10.2231 ± 0.0006 Å |
| c | 17.9161 ± 0.0011 Å |
| α | 87.132 ± 0.005° |
| β | 84.213 ± 0.005° |
| γ | 68.822 ± 0.005° |
| Cell volume | 1603.09 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1162 |
| Residual factor for significantly intense reflections | 0.0845 |
| Weighted residual factors for significantly intense reflections | 0.2197 |
| Weighted residual factors for all reflections included in the refinement | 0.2349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237146 (current) | 2019-11-24 | cif/ Adding structures of 1554347, 1554348, 1554349, 1554350 via cif-deposit CGI script. |
1554350.cif |
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Users of the data should acknowledge the original authors of the
structural data.