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Information card for entry 7160842
Preview
| Coordinates | 7160842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H N O |
|---|---|
| Calculated formula | C72 N9 O11 |
| Title of publication | Hypervalent iodine-mediated highly mono- and di-selective etherification of 8-aminoquinolines on the C5 and C6 positions† |
| Authors of publication | Qu, Hongen; Liang, Pei; Qiu, Shi; Xiao, Shangqing; Huang, Panpan; Wang, Hengshan; Zhou, Zhonggao; Liu, Liangxian |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.5494 ± 0.0014 Å |
| b | 24.117 ± 0.005 Å |
| c | 8.3213 ± 0.0016 Å |
| α | 90° |
| β | 93.888 ± 0.002° |
| γ | 90° |
| Cell volume | 1511.6 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1183 |
| Residual factor for significantly intense reflections | 0.104 |
| Weighted residual factors for significantly intense reflections | 0.2913 |
| Weighted residual factors for all reflections included in the refinement | 0.3084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303210 (current) | 2025-11-06 | cif/ Adding structures of 7160842 via cif-deposit CGI script. |
7160842.cif |
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Users of the data should acknowledge the original authors of the
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