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Information card for entry 4516878
Preview
| Coordinates | 4516878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H19 N3 O2 |
|---|---|
| Calculated formula | C24 H19 N3 O2 |
| SMILES | c1(c(n2ccccc2n1)n1c(cc2ccccc12)C(=O)OCC)c1ccccc1 |
| Title of publication | Copper-Promoted Regioselective Intermolecular Diamination of Ynamides: Synthesis of Imidazo[1,2-<i>a</i>]pyridines. |
| Authors of publication | Dwivedi, Vikas; Kumar, Ravi; Sharma, Kavita; Sridhar, Balasubramanian; Reddy, Maddi Sridhar |
| Journal of publication | ACS omega |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | 2770 - 2777 |
| a | 14.079 ± 0.0007 Å |
| b | 9.5407 ± 0.0004 Å |
| c | 15.4359 ± 0.0007 Å |
| α | 90° |
| β | 111.764 ± 0.001° |
| γ | 90° |
| Cell volume | 1925.61 ± 0.15 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0726 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1429 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239606 (current) | 2019-11-24 | cif/ Adding structures of 4516878 via cif-deposit CGI script. |
4516878.cif |
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Users of the data should acknowledge the original authors of the
structural data.