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Information card for entry 1553007
Preview
| Coordinates | 1553007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H18 N2 O |
|---|---|
| Calculated formula | C17 H18 N2 O |
| SMILES | O=C(NN[C@@H](C)/C=C/c1ccccc1)c1ccccc1 |
| Title of publication | Catalytic stereospecific allylation of protected hydrazines with enantioenriched primary allylic amines |
| Authors of publication | Wang, Yong; Xu, Jing-Kun; Gu, Yonghong; Tian, Shi-Kai |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 7 |
| Pages of publication | 812 |
| a | 5.1955 ± 0.0001 Å |
| b | 8.5856 ± 0.0001 Å |
| c | 32.9171 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1468.32 ± 0.04 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232956 (current) | 2019-11-23 | cif/ Adding structures of 1553007 via cif-deposit CGI script. |
1553007.cif |
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