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Information card for entry 1529882
Preview
| Coordinates | 1529882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 F3 N2 |
|---|---|
| Calculated formula | C27 H19 F3 N2 |
| SMILES | FC(F)(F)c1ccc(c2cc(nc(n3ccc4c3cccc4)c2C)c2ccccc2)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 | 7.4962 ± 0.0003 Å |
| b | 17.6328 ± 0.0008 Å |
| c | 16.4671 ± 0.0007 Å |
| α | 90° |
| β | 93.865 ± 0.004° |
| γ | 90° |
| Cell volume | 2171.65 ± 0.16 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154533 (current) | 2015-09-05 | cif/ Adding structures of 1529882 via cif-deposit CGI script. |
1529882.cif |
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Users of the data should acknowledge the original authors of the
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