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Information card for entry 4515155
Preview
| Coordinates | 4515155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N O2 |
|---|---|
| Calculated formula | C16 H15 N O2 |
| SMILES | O=C1N(C(O)c2c(c3c1cccc3)cccc2)CC |
| 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 | 9.4539 ± 0.0002 Å |
| b | 11.2454 ± 0.0002 Å |
| c | 12.3556 ± 0.0003 Å |
| α | 90° |
| β | 106.31 ± 0.002° |
| γ | 90° |
| Cell volume | 1260.7 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
4515155.cif |
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Users of the data should acknowledge the original authors of the
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