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Information card for entry 7129200
Preview
| Coordinates | 7129200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 S |
|---|---|
| Calculated formula | C18 H20 S |
| Title of publication | Brønsted Acid-Catalyzed Solvent-Controlled Regioselective Hydrothiolation and Diastereoselective Cascade Cyclization of Dienes |
| Authors of publication | Ji, Kai; Lu, Ka; Huang, Jie; Li, Zi-Hao; Ding, Tong-Mei; Chen, Zhi-Min |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 29.0653 ± 0.0006 Å |
| b | 5.67134 ± 0.0001 Å |
| c | 19.4203 ± 0.0004 Å |
| α | 90° |
| β | 108.856 ± 0.002° |
| γ | 90° |
| Cell volume | 3029.43 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1176 |
| 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 |
|---|---|---|---|
| 270305 (current) | 2021-11-05 | cif/ Adding structures of 7129200 via cif-deposit CGI script. |
7129200.cif |
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Users of the data should acknowledge the original authors of the
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