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Information card for entry 7159858
Preview
| Coordinates | 7159858.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H46 Br N4 O3 |
|---|---|
| Calculated formula | C58 H46 Br N4 O3 |
| Title of publication | Enantioselective synthesis of spirooxindole-pyran derivatives <i>via</i> a remote inverse-electron-demand Diels-Alder reaction of β,γ-unsaturated amides. |
| Authors of publication | Chen, Yuzhen; Chen, Jiajia; Zhong, Lin; Zhang, Yili; Zhan, Ruoting; Huang, Huicai; Xue, Yongbo |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 16 |
| Pages of publication | 3198 - 3203 |
| a | 11.202 ± 0.0002 Å |
| b | 11.3554 ± 0.0002 Å |
| c | 18.8713 ± 0.0004 Å |
| α | 103.795 ± 0.0018° |
| β | 102.27 ± 0.0018° |
| γ | 93.4841 ± 0.0016° |
| Cell volume | 2262.23 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.2054 |
| Weighted residual factors for all reflections included in the refinement | 0.213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291689 (current) | 2024-05-05 | cif/ Updating files of 7159858 Original log message: Adding full bibliography for 7159858.cif. |
7159858.cif |
| 290623 | 2024-03-24 | cif/ Adding structures of 7159858 via cif-deposit CGI script. |
7159858.cif |
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Users of the data should acknowledge the original authors of the
structural data.