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Information card for entry 7064383
Preview
| Coordinates | 7064383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 N O2 |
|---|---|
| Calculated formula | C22 H17 N O2 |
| Title of publication | DBU-mediated [3+2] annulation of 3-hydroxyisoindolinones with vinylsulfonium salts: an efficient approach to functionalized oxazolo[2,3-a]isoindolones |
| Authors of publication | Gou, Yan; Wang, Jing; Li, Na; Hou, Shanling; Cheng, Yang; Li, Yuming |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 18 |
| Pages of publication | 7609 - 7613 |
| a | 18.236 ± 0.003 Å |
| b | 9.023 ± 0.0019 Å |
| c | 13.095 ± 0.004 Å |
| α | 90° |
| β | 128.825 ± 0.004° |
| γ | 90° |
| Cell volume | 1678.6 ± 0.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.