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Information card for entry 7118625
Preview
| Coordinates | 7118625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1-phenylimidazo[1,5-a]pyridine |
|---|---|
| Formula | C13 H10 N2 |
| Calculated formula | C13 H10 N2 |
| SMILES | c1cc(ccc1)c1c2ccccn2cn1 |
| Title of publication | Isonitrile alkylations: a rapid route to imidazo[1,5-a]pyridines. |
| Authors of publication | Li, Yajun; Chao, Allen; Fleming, Fraser F. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 10 |
| Pages of publication | 2111 - 2113 |
| a | 7.2543 ± 0.0011 Å |
| b | 10.8861 ± 0.0017 Å |
| c | 12.636 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 997.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118625.cif |
| 175123 | 2016-01-27 | cif/ Adding structures of 7118625 via cif-deposit CGI script. |
7118625.cif |
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Users of the data should acknowledge the original authors of the
structural data.