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Information card for entry 1574576
Preview
| Coordinates | 1574576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H44 N6 O4 |
|---|---|
| Calculated formula | C42 H44 N6 O4 |
| Title of publication | N-Heterocyclic carbene-catalyzed enantioselective (dynamic) kinetic resolution for the assembly of inherently chiral macrocycles |
| Authors of publication | Li, Zhipeng; Zhang, Jingyang; Zhu, Wanmeng; Wang, Tianyi; wang, Yefeng jian; Wang, Jian |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 72.2732 ± 0.0007 Å |
| b | 9.2167 ± 0.0001 Å |
| c | 24.9319 ± 0.0002 Å |
| α | 90° |
| β | 92.577 ± 0.001° |
| γ | 90° |
| Cell volume | 16590.9 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0975 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.1787 |
| Weighted residual factors for all reflections included in the refinement | 0.1936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 299536 (current) | 2025-05-06 | cif/ Adding structures of 1574576 via cif-deposit CGI script. |
1574576.cif |
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Users of the data should acknowledge the original authors of the
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