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Information card for entry 7160588
Preview
| Coordinates | 7160588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H21 N O3 S |
|---|---|
| Calculated formula | C30 H21 N O3 S |
| Title of publication | Radical Cascade Cyclization of Chalcone Skeleton Enynes with Sulfonylhydrazides: Access to metasulfonyl Functionalized Pyridines |
| Authors of publication | Ni, Hairui; Zhao, Xinyuan; Yu, Tongyan; Shen, Wei; You, Siliang; Deng, Chao |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.3681 ± 0.0012 Å |
| b | 12.4428 ± 0.0012 Å |
| c | 17.317 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2449.5 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300045 (current) | 2025-06-11 | cif/ Adding structures of 7160588 via cif-deposit CGI script. |
7160588.cif |
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Users of the data should acknowledge the original authors of the
structural data.