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Information card for entry 1553614
Preview
| Coordinates | 1553614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 N2 O |
|---|---|
| Calculated formula | C13 H12 N2 O |
| SMILES | O=C(Nc1ccccc1)Nc1ccccc1 |
| Title of publication | A copper-catalyzed arylation/nucleophilic addition/fragmentation/C‒S bond formation cascade: synthesis of bis(arylthio)imines |
| Authors of publication | Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | 510 |
| a | 9.077 ± 0.004 Å |
| b | 10.4 ± 0.004 Å |
| c | 11.75 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1109.2 ± 0.8 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235209 (current) | 2019-11-23 | cif/ Adding structures of 1553614, 1553615 via cif-deposit CGI script. |
1553614.cif |
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