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Information card for entry 1544992
Preview
| Coordinates | 1544992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 F3 O2 S2 |
|---|---|
| Calculated formula | C12 H13 F3 O2 S2 |
| Title of publication | Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes |
| Authors of publication | Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 2610 |
| a | 5.6786 ± 0.0006 Å |
| b | 8.4547 ± 0.0009 Å |
| c | 15.2755 ± 0.0016 Å |
| α | 95.353 ± 0.008° |
| β | 96.231 ± 0.008° |
| γ | 102.129 ± 0.008° |
| Cell volume | 707.68 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 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 | 0.1544 |
| Residual factor for significantly intense reflections | 0.0978 |
| Weighted residual factors for significantly intense reflections | 0.2709 |
| Weighted residual factors for all reflections included in the refinement | 0.3262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194993 (current) | 2017-04-05 | cif/ Updating files of 1544991, 1544992 Original log message: Adding full bibliography for 1544991--1544992.cif. |
1544992.cif |
| 189867 | 2017-01-05 | cif/ Adding structures of 1544991, 1544992 via cif-deposit CGI script. |
1544992.cif |
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Users of the data should acknowledge the original authors of the
structural data.