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Information card for entry 7160738
Preview
| Coordinates | 7160738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H36 O4 |
|---|---|
| Calculated formula | C45 H36 O4 |
| Title of publication | Formation of complex cyclic compounds <i>via</i> a dehydrogenative Diels-Alder reaction. |
| Authors of publication | Xu, Zhongwei; Lei, Yu; Chang, Meng; Qiang, Ruihua; Hu, Qiong; Hu, Yimin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 34.0625 ± 0.0007 Å |
| b | 15.8412 ± 0.0003 Å |
| c | 29.0629 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15682.1 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1232 |
| Residual factor for significantly intense reflections | 0.0835 |
| Weighted residual factors for significantly intense reflections | 0.2283 |
| Weighted residual factors for all reflections included in the refinement | 0.2698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302217 (current) | 2025-09-23 | cif/ Adding structures of 7160738, 7160739, 7160740, 7160741, 7160742 via cif-deposit CGI script. |
7160738.cif |
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Users of the data should acknowledge the original authors of the
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