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Information card for entry 1565125
Preview
| Coordinates | 1565125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H25 Br N2 O3 |
|---|---|
| Calculated formula | C25 H25 Br N2 O3 |
| Title of publication | Organocatalytic cycloaddition–elimination cascade for atroposelective construction of heterobiaryls |
| Authors of publication | Xu, Wen-Lei; Zhao, Wei-Ming; Zhang, Ru-Xia; Chen, Jie; Zhou, Ling |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 20.765 ± 0.002 Å |
| b | 7.8674 ± 0.0008 Å |
| c | 13.6282 ± 0.0013 Å |
| α | 90° |
| β | 110.216 ± 0.005° |
| γ | 90° |
| Cell volume | 2089.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270328 (current) | 2021-11-06 | cif/ Adding structures of 1565125, 1565126 via cif-deposit CGI script. |
1565125.cif |
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Users of the data should acknowledge the original authors of the
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