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Information card for entry 1572401
Preview
| Coordinates | 1572401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H23 N O |
|---|---|
| Calculated formula | C25 H23 N O |
| SMILES | N(/C=C/C=C(/C=O)c1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Nitrogen-to-functionalized carbon atom transmutation of pyridine. |
| Authors of publication | Wu, Fu-Peng; Lenz, Madina; Suresh, Adhya; Gogoi, Achyut R.; Tyler, Jasper L.; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 37 |
| Pages of publication | 15205 - 15211 |
| a | 16.53 ± 0.0003 Å |
| b | 5.9431 ± 0.0001 Å |
| c | 20.4998 ± 0.0004 Å |
| α | 90° |
| β | 110.449 ± 0.001° |
| γ | 90° |
| Cell volume | 1886.98 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295168 (current) | 2024-10-06 | cif/ Updating files of 1572401 Original log message: Adding full bibliography for 1572401.cif. |
1572401.cif |
| 294223 | 2024-08-27 | cif/ Adding structures of 1572401 via cif-deposit CGI script. |
1572401.cif |
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Users of the data should acknowledge the original authors of the
structural data.