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Information card for entry 7247902
Preview
| Coordinates | 7247902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H18 N2 |
|---|---|
| Calculated formula | C23 H18 N2 |
| SMILES | c1(c(C#CCc2ccccc2)nc2ccccn12)Cc1ccccc1 |
| Title of publication | Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines |
| Authors of publication | Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 3 |
| Pages of publication | 1329 - 1337 |
| a | 7.927 ± 0.0001 Å |
| b | 11.9867 ± 0.0001 Å |
| c | 36.2753 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3446.83 ± 0.06 Å3 |
| Cell temperature | 99.8 ± 0.5 K |
| Ambient diffraction temperature | 99.8 ± 0.5 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292638 (current) | 2024-06-28 | cif/7: Fixing Z values and formulae |
7247902.cif |
| 290220 | 2024-03-04 | cif/ Updating files of 7247899, 7247900, 7247901, 7247902, 7247903 Original log message: Adding full bibliography for 7247899--7247903.cif. |
7247902.cif |
| 288499 | 2023-12-22 | cif/ Adding structures of 7247899, 7247900, 7247901, 7247902, 7247903 via cif-deposit CGI script. |
7247902.cif |
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Users of the data should acknowledge the original authors of the
structural data.