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Information card for entry 1553521
Preview
| Coordinates | 1553521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Ph-CH3)-S-[Ph(OCH3)3] |
|---|---|
| Formula | C16 H18 O3 S |
| Calculated formula | C16 H18 O3 S |
| SMILES | S(c1ccc(cc1)C)c1cc(OC)c(OC)c(OC)c1 |
| Title of publication | Nickel-catalyzed direct formation of the C‒S bonds of aryl sulfides from arylsulfonyl chlorides and aryl iodides using Mn as a reducing agent |
| Authors of publication | Wang, Yang; Zhang, Xiaofeng; Liu, Haixiong; Chen, Hui; Huang, Deguang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 31 |
| a | 6.9478 ± 0.0005 Å |
| b | 9.1969 ± 0.0005 Å |
| c | 11.8012 ± 0.001 Å |
| α | 82.206 ± 0.006° |
| β | 81.643 ± 0.007° |
| γ | 75.22 ± 0.006° |
| Cell volume | 717.55 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235096 (current) | 2019-11-23 | cif/ Adding structures of 1553521, 1553522, 1553523, 1553524, 1553525, 1553526, 1553527 via cif-deposit CGI script. |
1553521.cif |
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Users of the data should acknowledge the original authors of the
structural data.