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Information card for entry 1561397
Preview
| Coordinates | 1561397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 F3 N O2 S |
|---|---|
| Calculated formula | C18.999 H14 F2.997 N O2 S |
| Title of publication | Divergent Reactivity of Sulfinates with Pyridinium Salts Based on One- versus Two-Electron Pathways |
| Authors of publication | Kim, Myojeong; You, Euna; Park, Seongjin; Hong, Sungwoo |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 15.1971 ± 0.0018 Å |
| b | 15.1809 ± 0.0016 Å |
| c | 7.5348 ± 0.0009 Å |
| α | 90° |
| β | 97.371 ± 0.004° |
| γ | 90° |
| Cell volume | 1724 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1277 |
| Residual factor for significantly intense reflections | 0.1108 |
| Weighted residual factors for significantly intense reflections | 0.1984 |
| Weighted residual factors for all reflections included in the refinement | 0.2055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263504 (current) | 2021-04-01 | cif/ Adding structures of 1561396, 1561397 via cif-deposit CGI script. |
1561397.cif |
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