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Information card for entry 7160493
Preview
| Coordinates | 7160493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Br N O3 |
|---|---|
| Calculated formula | C18 H14 Br N O3 |
| Title of publication | Rhodium-Catalyzed C−H Activation and Three-Component Tandem Annulation Leading to Isoquinolones |
| Authors of publication | Liu, Xiao; Yan, Kelu; Wen, Jiangwei; Li, Qiuyun; Shang, Wenxu; Yu, Xinming; Wang, Xiu |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.3081 ± 0.0008 Å |
| b | 8.5016 ± 0.0009 Å |
| c | 14.2301 ± 0.0015 Å |
| α | 99.451 ± 0.004° |
| β | 100.327 ± 0.003° |
| γ | 107.469 ± 0.003° |
| Cell volume | 806.98 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1536 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299247 (current) | 2025-04-10 | cif/ Adding structures of 7160493 via cif-deposit CGI script. |
7160493.cif |
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Users of the data should acknowledge the original authors of the
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