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Information card for entry 7240048
Preview
| Coordinates | 7240048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H16 N4 O3 |
|---|---|
| Calculated formula | C19 H16 N4 O3 |
| SMILES | c12cccc3n2c(c(c2ccc(cc2)N(=O)=O)n1)N=C1C(CCCC1)O3 |
| Title of publication | Efficient one-pot synthesis of functionalised imidazo[1,2-a]pyridines and unexpected synthesis of novel tetracyclic derivatives by nucleophilic aromatic substitution |
| Authors of publication | Changunda, Charles R. K.; Venkatesh, B. C.; Mokone, William K.; Rousseau, Amanda L.; Brady, Dean; Fernandes, Manuel A.; Bode, Moira L. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 14 |
| Pages of publication | 8104 - 8114 |
| a | 20.8879 ± 0.0015 Å |
| b | 7.2791 ± 0.0005 Å |
| c | 21.5015 ± 0.0015 Å |
| α | 90° |
| β | 96.086 ± 0.005° |
| γ | 90° |
| Cell volume | 3250.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1383 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.78 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240048.cif |
| 258088 | 2020-10-06 | cif/ Updating files of 7240048, 7240049 Original log message: Adding full bibliography for 7240048--7240049.cif. |
7240048.cif |
| 248789 | 2020-03-05 | cif/ Adding structures of 7240048, 7240049 via cif-deposit CGI script. |
7240048.cif |
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Users of the data should acknowledge the original authors of the
structural data.