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Information card for entry 7131967
Preview
| Coordinates | 7131967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H29 F3 O4 S |
|---|---|
| Calculated formula | C29 H29 F3 O4 S |
| Title of publication | Photoredox Catalysis in Alkene and Alkyne Alkylsulfonylations: The Construction of Markovnikov Selective α-Sulfones |
| Authors of publication | Lu, Lingyi; Wang, Haoran; Huang, Shanshan; Xiong, Biao; Zeng, Xiaobao; Ling, Yong; Qiu, Xiaodong |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 17.9381 ± 0.0009 Å |
| b | 11.1134 ± 0.0007 Å |
| c | 26.1609 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5215.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1313 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285427 (current) | 2023-08-03 | cif/ Adding structures of 7131967 via cif-deposit CGI script. |
7131967.cif |
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