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Information card for entry 4126329
Preview
| Coordinates | 4126329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 N2 O |
|---|---|
| Calculated formula | C27 H23 N O |
| SMILES | O=N([C@@H]1C[C@]1(c1ccc2ccccc2c1)C)=C(c1ccccc1)c1ccccc1 |
| Title of publication | Asymmetric Nitrone Synthesis via Ligand-Enabled Copper-Catalyzed Cope-Type Hydroamination of Cyclopropene with Oxime. |
| Authors of publication | Li, Zhanyu; Zhao, Jinbo; Sun, Baozhen; Zhou, Tingting; Liu, Mingzhu; Liu, Shuang; Zhang, Mengru; Zhang, Qian |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 8.7558 ± 0.0003 Å |
| b | 11.1462 ± 0.0004 Å |
| c | 21.2016 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2069.15 ± 0.12 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 292.7 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 | 0.0468 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199858 (current) | 2017-08-20 | cif/ Adding structures of 4126329 via cif-deposit CGI script. |
4126329.cif |
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