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Information card for entry 7225950
Preview
| Coordinates | 7225950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H7 N3 O2 |
|---|---|
| Calculated formula | C8 H7 N3 O2 |
| SMILES | O=N(=O)c1cn2c(nc(c2)C)cc1 |
| Title of publication | Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions |
| Authors of publication | Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. |
| Journal of publication | Green Chem. |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 17 |
| Pages of publication | 4623 |
| a | 24.304 ± 0.002 Å |
| b | 24.304 ± 0.002 Å |
| c | 6.8579 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3508.1 ± 0.5 Å3 |
| Cell temperature | 119.99 ± 0.14 K |
| Ambient diffraction temperature | 119.99 ± 0.14 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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 |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225950.cif |
| 186448 | 2016-09-10 | cif/ Updating files of 7225942, 7225943, 7225944, 7225945, 7225946, 7225947, 7225948, 7225949, 7225950 Original log message: Adding full bibliography for 7225942--7225950.cif. |
7225950.cif |
| 184478 | 2016-07-15 | cif/ Adding structures of 7225950 via cif-deposit CGI script. |
7225950.cif |
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Users of the data should acknowledge the original authors of the
structural data.