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Information card for entry 1553587
Preview
| Coordinates | 1553587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H11 I N2 O2 |
|---|---|
| Calculated formula | C12 H11 I N2 O2 |
| Title of publication | Copper(i) and N-fluorobenzenesulfonimide-mediated direct regioselective halogenation of 8-amidoquinolines on the C5 position |
| Authors of publication | He, Xin; Xu, Yi-zhu; Kong, Ling-xuan; Wu, Huan-huan; Ji, De-zhong; Wang, Zhi-bin; Xu, Yun-gen; Zhu, Qi-hua |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 1046 |
| a | 6.9379 ± 0.0019 Å |
| b | 19.798 ± 0.006 Å |
| c | 17.773 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2441.2 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235172 (current) | 2019-11-23 | cif/ Adding structures of 1553587 via cif-deposit CGI script. |
1553587.cif |
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Users of the data should acknowledge the original authors of the
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