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Information card for entry 1540617
Preview
| Coordinates | 1540617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H26 O3 S |
|---|---|
| Calculated formula | C30 H26 O3 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)C(/C=C(c1ccccc1)\C)C(=O)c1ccc(cc1)c1ccccc1 |
| 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 | 14.188 ± 0.0006 Å |
| b | 5.8892 ± 0.0003 Å |
| c | 15.3276 ± 0.0006 Å |
| α | 90° |
| β | 103.795 ± 0.002° |
| γ | 90° |
| Cell volume | 1243.77 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170765 (current) | 2015-12-06 | cif/ Adding structures of 1540617 via cif-deposit CGI script. |
1540617.cif |
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Users of the data should acknowledge the original authors of the
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