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Information card for entry 4519426
Preview
| Coordinates | 4519426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H15 N O4 |
|---|---|
| Calculated formula | C25 H15 N O4 |
| Title of publication | Metal-Free C–C Cross Coupling: Electrosynthesis of Azaheterocycles through Anodic Oxidation Cyclization of 1,6-Enynes |
| Authors of publication | Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2022 |
| Journal volume | 10 |
| Journal issue | 10 |
| Pages of publication | 3288 - 3294 |
| a | 8.6432 ± 0.0004 Å |
| b | 11.0448 ± 0.0005 Å |
| c | 11.1069 ± 0.0004 Å |
| α | 62.407 ± 0.004° |
| β | 72.632 ± 0.004° |
| γ | 84.054 ± 0.004° |
| Cell volume | 896.1 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0437 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274277 (current) | 2022-04-04 | cif/ Adding structures of 4519426 via cif-deposit CGI script. |
4519426.cif |
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Users of the data should acknowledge the original authors of the
structural data.