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Information card for entry 1574700
Preview
| Coordinates | 1574700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 Br N O2 |
|---|---|
| Calculated formula | C26 H24 Br N O2 |
| Title of publication | Convergent and Divergent Synthesis of Dihydroisoquinoline-1,4-diones Enabled by a Photocatalytic Skeleton-Editing [4+2] Strategy |
| Authors of publication | Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Zhang, Jian-Xin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 12.1999 ± 0.0002 Å |
| b | 8.1197 ± 0.0002 Å |
| c | 22.711 ± 0.0005 Å |
| α | 90° |
| β | 103.927 ± 0.001° |
| γ | 90° |
| Cell volume | 2183.61 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0235 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299788 (current) | 2025-05-23 | cif/ Adding structures of 1574700, 1574701 via cif-deposit CGI script. |
1574700.cif |
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Users of the data should acknowledge the original authors of the
structural data.