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Information card for entry 1540620
Preview
| Coordinates | 1540620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H26 O3 S |
|---|---|
| Calculated formula | C30 H26 O3 S |
| SMILES | S(=O)(=O)(C(/C=C(c1ccc(c2ccccc2)cc1)\C)C(=O)c1ccccc1)c1ccc(C)cc1 |
| Title of publication | Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. |
| Authors of publication | Chang, Meng-Yang; Cheng, Yu-Chieh |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 5702 - 5705 |
| a | 16.1272 ± 0.0015 Å |
| b | 8.2497 ± 0.0008 Å |
| c | 17.782 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2365.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170768 (current) | 2015-12-06 | cif/ Adding structures of 1540620 via cif-deposit CGI script. |
1540620.cif |
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Users of the data should acknowledge the original authors of the
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