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Information card for entry 1568446
Preview
| Coordinates | 1568446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H23 N O2 S |
|---|---|
| Calculated formula | C24 H23 N O2 S |
| SMILES | S(=O)(=O)(N[C@H](/C=C/C=C/c1ccccc1)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Palladium- and Brønsted acid-catalyzed enantio-, site- and E/Z-selective addition of alkylidenecyclopropanes with imines |
| Authors of publication | Liu, Xin-Lian; Lin, Han-Ze; Tan, Lu-Qi; Peng, Jin-Bao |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 2348 - 2352 |
| a | 8.3434 ± 0.0002 Å |
| b | 9.5869 ± 0.0003 Å |
| c | 25.257 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2020.24 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0387 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281386 (current) | 2023-03-04 | cif/ Updating files of 1568446 Original log message: Adding full bibliography for 1568446.cif. |
1568446.cif |
| 280962 | 2023-02-20 | cif/ Adding structures of 1568446 via cif-deposit CGI script. |
1568446.cif |
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Users of the data should acknowledge the original authors of the
structural data.