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Information card for entry 4515223
Preview
| Coordinates | 4515223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H34 F18 I2 N2 O2 |
|---|---|
| Calculated formula | C46 H34 F18 I2 N2 O2 |
| Title of publication | Visible-Light-Induced Atom Transfer Radical Addition and Cyclization of Perfluoroalkyl Halides with 1,n-Enynes |
| Authors of publication | Wang, Shuo-Wen; Yu, Jian; Zhou, Qin-Yi; Chen, Si-Yu; Xu, Zhen-Hua; Tang, Shi |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 11 |
| Pages of publication | 10154 |
| a | 9.6843 ± 0.0005 Å |
| b | 15.0889 ± 0.0007 Å |
| c | 16.578 ± 0.0008 Å |
| α | 89.55 ± 0.001° |
| β | 78.093 ± 0.001° |
| γ | 81.195 ± 0.002° |
| Cell volume | 2341.7 ± 0.2 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220323 (current) | 2019-10-29 | cif/ Adding structures of 4515223 via cif-deposit CGI script. |
4515223.cif |
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Users of the data should acknowledge the original authors of the
structural data.