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Information card for entry 7249639
Preview
| Coordinates | 7249639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 F6 N6 O2 |
|---|---|
| Calculated formula | C20 H16 F6 N6 O2 |
| Title of publication | EDA complex mediated [3+2] cyclization for the construction of CF3-oxadiazoles |
| Authors of publication | Huang, Mengjun; Wang, Guoqiang; Li, Heyin; Zou, Zhenlei; Jia, Xingye; Karotsis, Georgios; Pan, Yi; Zhang, Weigang; Ma, Jing; Wang, Yi |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| a | 5.9 ± 0.003 Å |
| b | 12.748 ± 0.006 Å |
| c | 28.745 ± 0.015 Å |
| α | 90° |
| β | 95.113 ± 0.019° |
| γ | 90° |
| Cell volume | 2153.4 ± 1.9 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1061 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1601 |
| Weighted residual factors for all reflections included in the refinement | 0.1915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296105 (current) | 2024-11-26 | cif/ Adding structures of 7249639 via cif-deposit CGI script. |
7249639.cif |
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Users of the data should acknowledge the original authors of the
structural data.