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Information card for entry 1570971
Preview
| Coordinates | 1570971.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 | 7.8226 ± 0.0005 Å |
| b | 9.87 ± 0.0006 Å |
| c | 13.4677 ± 0.0008 Å |
| α | 72.435 ± 0.002° |
| β | 82.536 ± 0.002° |
| γ | 83.621 ± 0.002° |
| Cell volume | 980.1 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290856 (current) | 2024-04-05 | cif/ Updating files of 1570969, 1570970, 1570971 Original log message: Adding full bibliography for 1570969--1570971.cif. |
1570971.cif |
| 289776 | 2024-02-10 | cif/ Adding structures of 1570969, 1570970, 1570971 via cif-deposit CGI script. |
1570971.cif |
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Users of the data should acknowledge the original authors of the
structural data.