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Information card for entry 1553442
Preview
| Coordinates | 1553442.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 N2 |
|---|---|
| Calculated formula | C20 H24 N2 |
| SMILES | c1(ccccc1)N1C(CC(C(=N1)C)(C)C)Cc1ccccc1 |
| 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 | 13.1094 ± 0.0007 Å |
| b | 8.943 ± 0.0005 Å |
| c | 14.6031 ± 0.0009 Å |
| α | 90° |
| β | 105.214 ± 0.002° |
| γ | 90° |
| Cell volume | 1652.03 ± 0.16 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
1553442.cif |
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