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Information card for entry 1547577
Preview
| Coordinates | 1547577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H26 O2 S |
|---|---|
| Calculated formula | C37 H26 O2 S |
| SMILES | S1(=O)(=O)c2ccc(c3ccc4c5c(cccc5)C(c4c3)(C)C)cc2c2c1ccc(c2)c1c2ccccc2ccc1 |
| Title of publication | Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts. |
| Authors of publication | Wang, Ming; Chen, Shihao; Jiang, Xuefeng |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 18 |
| Pages of publication | 4916 - 4919 |
| a | 13.7489 ± 0.0006 Å |
| b | 12.7062 ± 0.0005 Å |
| c | 34.5595 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6037.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201728 (current) | 2017-10-05 | cif/ Adding structures of 1547577 via cif-deposit CGI script. |
1547577.cif |
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Users of the data should acknowledge the original authors of the
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