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Information card for entry 7250596
Preview
| Coordinates | 7250596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H25 N3 O3 |
|---|---|
| Calculated formula | C27 H25 N3 O3 |
| Title of publication | Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds |
| Authors of publication | Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 27 |
| Pages of publication | 21872 - 21878 |
| a | 19.2491 ± 0.0012 Å |
| b | 9.9787 ± 0.0004 Å |
| c | 22.4268 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4307.8 ± 0.4 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0941 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300242 (current) | 2025-06-27 | cif/ Adding structures of 7250595, 7250596, 7250597 via cif-deposit CGI script. |
7250596.cif |
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Users of the data should acknowledge the original authors of the
structural data.