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Information card for entry 1570969
Preview
| Coordinates | 1570969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 N O2 |
|---|---|
| Calculated formula | C27 H19 N O2 |
| Title of publication | Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination. |
| Authors of publication | Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 3893 - 3900 |
| a | 8.0198 ± 0.0003 Å |
| b | 9.4799 ± 0.0004 Å |
| c | 13.7043 ± 0.0006 Å |
| α | 103.446 ± 0.002° |
| β | 97.519 ± 0.002° |
| γ | 102.443 ± 0.002° |
| Cell volume | 971.41 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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The link is: https://www.crystallography.net/1570969.html
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Users of the data should acknowledge the original authors of the
structural data.