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Information card for entry 1554822
Preview
| Coordinates | 1554822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H10 N2 O |
|---|---|
| Calculated formula | C16 H10 N2 O |
| SMILES | o1c2ccccc2nc1c1nc2c(cc1)cccc2 |
| Title of publication | Base-promoted cross-dehydrogenative coupling of quinoline N-oxides with 1,3-azoles. |
| Authors of publication | Chen, Xiaopei; Cui, Xiuling; Yang, Fangfang; Wu, Yangjie |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 6 |
| Pages of publication | 1445 - 1448 |
| a | 6.4176 ± 0.0003 Å |
| b | 20.0965 ± 0.001 Å |
| c | 9.335 ± 0.0005 Å |
| α | 90° |
| β | 98.274 ± 0.005° |
| γ | 90° |
| Cell volume | 1191.42 ± 0.1 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| 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 |
|---|---|---|---|
| 238139 (current) | 2019-11-24 | cif/ Adding structures of 1554822 via cif-deposit CGI script. |
1554822.cif |
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