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Information card for entry 7230286
Preview
| Coordinates | 7230286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H19 Cl3 N2 |
|---|---|
| Calculated formula | C25 H19 Cl3 N2 |
| Title of publication | Transition-metal-free C–N and C–C formation: synthesis of benzo[4,5]imidazo[1,2-a]pyridines and 2-pyridones from ynones |
| Authors of publication | Teng, Qing-Hu; Peng, Xiang-Jun; Mo, Zu-Yu; Xu, Yan-Li; Tang, Hai-Tao; Wang, Heng-Shan; Sun, Hong-Bin; Pan, Ying-Ming |
| Journal of publication | Green Chemistry |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 9 |
| Pages of publication | 2007 |
| a | 10.6279 ± 0.001 Å |
| b | 15.8991 ± 0.001 Å |
| c | 13.4801 ± 0.001 Å |
| α | 90° |
| β | 100.33 ± 0.009° |
| γ | 90° |
| Cell volume | 2240.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1164 |
| Residual factor for significantly intense reflections | 0.084 |
| Weighted residual factors for significantly intense reflections | 0.2101 |
| Weighted residual factors for all reflections included in the refinement | 0.2443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230286.cif |
| 230111 | 2019-11-17 | cif/ Updating files of 7230285, 7230286 Original log message: Adding full bibliography for 7230285--7230286.cif. |
7230286.cif |
| 206882 | 2018-03-10 | cif/ Adding structures of 7230285, 7230286 via cif-deposit CGI script. |
7230286.cif |
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Users of the data should acknowledge the original authors of the
structural data.