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Information card for entry 4088283
Preview
| Coordinates | 4088283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H9 Cl N2 |
|---|---|
| Calculated formula | C13 H9 Cl N2 |
| SMILES | c1cccc2c(cnn12)c1ccc(cc1)Cl |
| Title of publication | Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C–H Activation and Synthetic Applications on P38 Kinase Inhibitors |
| Authors of publication | Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 2 |
| Pages of publication | 288 |
| a | 12.6083 ± 0.0009 Å |
| b | 11.4037 ± 0.0008 Å |
| c | 7.3882 ± 0.0006 Å |
| α | 90° |
| β | 96.485 ± 0.004° |
| γ | 90° |
| Cell volume | 1055.49 ± 0.14 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| 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 |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088283.cif |
| 237439 | 2019-11-24 | cif/ Adding structures of 4088283 via cif-deposit CGI script. |
4088283.cif |
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Users of the data should acknowledge the original authors of the
structural data.