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Information card for entry 7247521
Preview
| Coordinates | 7247521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 O3 S Se |
|---|---|
| Calculated formula | C22 H18 O3 S Se |
| Title of publication | Visible-light-driven graphitic carbon nitride-catalyzed ATRA of alkynes: highly regio- and stereoselective synthesis of (E)-β-functionalized vinylsulfones |
| Authors of publication | Xie, Shu-Li; Yan, Jian-Zhong; Xie, Meng-Jun; Li, Xuan; Zhou, Fan; Zheng, Mei-Qiong; Wang, Xue-Lin; Feng, Junhao; Zhang, Yao; Duan, Ya-Nan; Niu, Yong-Dong; Li, Dong; Xia, Hai-Dong |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 1 |
| Pages of publication | 323 - 329 |
| a | 7.2763 ± 0.0002 Å |
| b | 7.6736 ± 0.0003 Å |
| c | 18.9654 ± 0.0005 Å |
| α | 83.579 ± 0.002° |
| β | 82.28 ± 0.002° |
| γ | 64.68 ± 0.003° |
| Cell volume | 946.79 ± 0.06 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289569 (current) | 2024-02-04 | cif/ Updating files of 7247521 Original log message: Adding full bibliography for 7247521.cif. |
7247521.cif |
| 287013 | 2023-10-18 | cif/ Adding structures of 7247521 via cif-deposit CGI script. |
7247521.cif |
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Users of the data should acknowledge the original authors of the
structural data.