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Information card for entry 4132366
Preview
| Coordinates | 4132366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 O3 S |
|---|---|
| Calculated formula | C24 H18 O3 S |
| SMILES | S(=O)(=O)(/C(=C/c1ccccc1)c1c(O)ccc2c1cccc2)c1ccccc1 |
| Title of publication | Organocatalytic Enantioselective Construction of Axially Chiral Sulfone-Containing Styrenes. |
| Authors of publication | Jia, Shiqi; Chen, Zhili; Zhang, Nan; Tan, Yu; Liu, Yidong; Deng, Jun; Yan, Hailong |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 23 |
| Pages of publication | 7056 - 7060 |
| a | 10.0521 ± 0.0004 Å |
| b | 12.6929 ± 0.0008 Å |
| c | 15.0985 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1926.42 ± 0.18 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0546 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242350 (current) | 2019-11-26 | cif/ Adding structures of 4132366 via cif-deposit CGI script. |
4132366.cif |
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Users of the data should acknowledge the original authors of the
structural data.