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Information card for entry 4515160
Preview
| Coordinates | 4515160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 N O2 |
|---|---|
| Calculated formula | C22 H19 N O2 |
| SMILES | O[C@H]1N(C(=O)c2ccccc2c2c1cccc2)[C@@H](c1ccccc1)C |
| Title of publication | Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls. |
| Authors of publication | Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 10273 - 10278 |
| a | 9.2098 ± 0.0016 Å |
| b | 10.1883 ± 0.0018 Å |
| c | 18.326 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1719.6 ± 0.6 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.233 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220262 (current) | 2019-10-28 | cif/ Adding structures of 4515154, 4515155, 4515156, 4515157, 4515158, 4515159, 4515160 via cif-deposit CGI script. |
4515160.cif |
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Users of the data should acknowledge the original authors of the
structural data.