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Information card for entry 7132963
Preview
| Coordinates | 7132963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H24 S |
|---|---|
| Calculated formula | C27 H24 S |
| Title of publication | C-H Arylation of Thiopyran Derivatives with Aryl Halides |
| Authors of publication | Su, Yangzhe; Wang, Min; Xu, Jianping; Chen, Weinan; Zhou, Gang |
| Journal of publication | Chemical Communications |
| Year of publication | 2024 |
| a | 12.0192 ± 0.0007 Å |
| b | 13.1986 ± 0.0007 Å |
| c | 13.5978 ± 0.0007 Å |
| α | 91.326 ± 0.002° |
| β | 92.661 ± 0.003° |
| γ | 113.371 ± 0.003° |
| Cell volume | 1975.96 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1175 |
| Residual factor for significantly intense reflections | 0.1065 |
| Weighted residual factors for significantly intense reflections | 0.2886 |
| Weighted residual factors for all reflections included in the refinement | 0.2967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291232 (current) | 2024-04-17 | cif/ Adding structures of 7132961, 7132962, 7132963 via cif-deposit CGI script. |
7132963.cif |
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Users of the data should acknowledge the original authors of the
structural data.