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Information card for entry 1553523
Preview
| Coordinates | 1553523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Ph-CH3)-S-(Ph-CN) |
|---|---|
| Formula | C14 H11 N S |
| Calculated formula | C14 H11 N S |
| SMILES | S(c1ccc(cc1)C)c1ccc(cc1)C#N |
| 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 | 5.7042 ± 0.0003 Å |
| b | 25.743 ± 0.002 Å |
| c | 7.8069 ± 0.0004 Å |
| α | 90° |
| β | 94.59 ± 0.005° |
| γ | 90° |
| Cell volume | 1142.71 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1553523.cif |
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Users of the data should acknowledge the original authors of the
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