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Information card for entry 7134729
Preview
| Coordinates | 7134729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 F N O4 S |
|---|---|
| Calculated formula | C17 H14 F N O4 S |
| Title of publication | Oxidative [3+2] annulation of activated pyridines for the synthesis of indolizinyl sulfonyl fluorides: a class of important pharmacophores. |
| Authors of publication | Zhang, Sen; Fayad, Eman; Katouah, Hanadi A.; Huang, Yi-Yong; Qin, Hua-Li |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| a | 9.4933 ± 0.0003 Å |
| b | 9.7205 ± 0.0002 Å |
| c | 9.7983 ± 0.0002 Å |
| α | 89.993 ± 0.002° |
| β | 77.842 ± 0.002° |
| γ | 70.533 ± 0.002° |
| Cell volume | 830.96 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1574 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| 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 |
|---|---|---|---|
| 300105 (current) | 2025-06-18 | cif/ Adding structures of 7134729 via cif-deposit CGI script. |
7134729.cif |
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Users of the data should acknowledge the original authors of the
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