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Information card for entry 1553443
Preview
| Coordinates | 1553443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 N2 S |
|---|---|
| Calculated formula | C23 H24 N2 S |
| SMILES | c1ccc(C2=NN(C(CC2(C)C)Cc2ccccc2)c2ccccc2)s1 |
| Title of publication | Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles |
| Authors of publication | Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 5 |
| Pages of publication | 609 |
| a | 11.6939 ± 0.0007 Å |
| b | 9.4598 ± 0.0005 Å |
| c | 16.9069 ± 0.001 Å |
| α | 90° |
| β | 91.481 ± 0.003° |
| γ | 90° |
| Cell volume | 1869.65 ± 0.19 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0851 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234999 (current) | 2019-11-23 | cif/ Adding structures of 1553442, 1553443 via cif-deposit CGI script. |
1553443.cif |
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Users of the data should acknowledge the original authors of the
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