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Information card for entry 1559017
Preview
| Coordinates | 1559017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (Z)-(3-Benzyl-2-(phenylimino)oxazolidin-4-yl)methanol |
|---|---|
| Formula | C17 H18 N2 O2 |
| Calculated formula | C17 H18 N2 O2 |
| SMILES | O1C(=N\c2ccccc2)/N(C(C1)CO)Cc1ccccc1 |
| Title of publication | 3-Aminooxetanes: versatile 1,3-amphoteric molecules for intermolecular annulation reactions |
| Authors of publication | Lai, Zengwei; Zhang, Renwei; Feng, Qiang; Sun, Jianwei |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 10.7941 ± 0.0003 Å |
| b | 9.6492 ± 0.0003 Å |
| c | 14.6149 ± 0.0004 Å |
| α | 90° |
| β | 109.529 ± 0.003° |
| γ | 90° |
| Cell volume | 1434.64 ± 0.08 Å3 |
| Cell temperature | 99.9 ± 0.5 K |
| Ambient diffraction temperature | 100.15 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256236 (current) | 2020-09-09 | cif/ Adding structures of 1559016, 1559017 via cif-deposit CGI script. |
1559017.cif |
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