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Information card for entry 1540618
Preview
| Coordinates | 1540618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H20 O2 |
|---|---|
| Calculated formula | C24 H20 O2 |
| SMILES | O1C(c2ccccc2)(CC(=C1c1ccccc1)C(=O)c1ccccc1)C |
| 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 | 7.1637 ± 0.0004 Å |
| b | 11.4472 ± 0.0005 Å |
| c | 11.9023 ± 0.0005 Å |
| α | 79.27 ± 0.002° |
| β | 77.811 ± 0.002° |
| γ | 87.147 ± 0.002° |
| Cell volume | 937.3 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170766 (current) | 2015-12-06 | cif/ Adding structures of 1540618 via cif-deposit CGI script. |
1540618.cif |
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Users of the data should acknowledge the original authors of the
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