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Information card for entry 7120842
Preview
| Coordinates | 7120842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H9 F9 N2 O2 |
|---|---|
| Calculated formula | C16 H9 F9 N2 O2 |
| Title of publication | Photoinduced, copper-catalyzed three components cyanofluoroalkylation of alkenes with fluoroalkyl iodides as fluoroalkylation reagents |
| Authors of publication | Guo, Quanping; Wang, Mengran; Wang, Yanfang; Xu, Zhaoqing; Wang, Rui |
| Journal of publication | Chemical Communications |
| Year of publication | 2017 |
| a | 5.7476 ± 0.0007 Å |
| b | 11.287 ± 0.0013 Å |
| c | 14.038 ± 0.0017 Å |
| α | 76.581 ± 0.01° |
| β | 85.498 ± 0.01° |
| γ | 83.205 ± 0.01° |
| Cell volume | 878.38 ± 0.19 Å3 |
| Cell temperature | 291.08 ± 0.1 K |
| Ambient diffraction temperature | 291.08 ± 0.1 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 | 0.1501 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2296 |
| Weighted residual factors for all reflections included in the refinement | 0.2871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202531 (current) | 2017-11-03 | cif/ Adding structures of 7120842 via cif-deposit CGI script. |
7120842.cif |
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Users of the data should acknowledge the original authors of the
structural data.