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Information card for entry 1529883
Preview
| Coordinates | 1529883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N O2 |
|---|---|
| Calculated formula | C19 H17 N O2 |
| SMILES | O1C(=CC(=NC=C1C)c1ccccc1)c1ccc(OC)cc1 |
| Title of publication | Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds. |
| Authors of publication | Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 15 |
| Pages of publication | 3790 - 3793 |
| a | 7.3862 ± 0.0003 Å |
| b | 11.9598 ± 0.0005 Å |
| c | 17.2782 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1526.31 ± 0.11 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0374 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154534 (current) | 2015-09-05 | cif/ Adding structures of 1529883 via cif-deposit CGI script. |
1529883.cif |
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