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Information card for entry 1558092
Preview
| Coordinates | 1558092.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H28 F6 N2 S2 |
|---|---|
| Calculated formula | C33 H28 F6 N2 S2 |
| SMILES | S=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1[C@@](c2ccccc2)(C)C[C@](C1)(c1cscc1)CC(=C)c1ccccc1 |
| Title of publication | Desymmetrization of unactivated bis-alkenes via chiral Brønsted acid-catalysed hydroamination |
| Authors of publication | Yu, Zhang-Long; Cheng, Yong-Feng; Jiang, Na-Chuan; Wang, Jian; Fan, Li-Wen; Yuan, Yue; Li, Zhong-Liang; Gu, Qiang-Shuai; Liu, Xin-Yuan |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 23 |
| Pages of publication | 5987 - 5993 |
| a | 10.6734 ± 0.0007 Å |
| b | 13.492 ± 0.0009 Å |
| c | 10.8926 ± 0.0008 Å |
| α | 90° |
| β | 106.158 ± 0.002° |
| γ | 90° |
| Cell volume | 1506.63 ± 0.18 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558092.cif |
| 257396 | 2020-10-06 | cif/ Updating files of 1558092 Original log message: Adding full bibliography for 1558092.cif. |
1558092.cif |
| 253851 | 2020-07-06 | cif/ Updating files of 1558092 Original log message: Adding full bibliography for 1558092.cif. |
1558092.cif |
| 252225 | 2020-05-21 | cif/ Adding structures of 1558092 via cif-deposit CGI script. |
1558092.cif |
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Users of the data should acknowledge the original authors of the
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