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Information card for entry 1573543
Preview
| Coordinates | 1573543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H20 F2 O3 |
|---|---|
| Calculated formula | C27 H20 F2 O3 |
| Title of publication | General access to furan-substituted <i>gem</i>-difluoroalkenes enabled by PFTB-promoted cross-coupling of ene-yne-ketones and difluorocarbene. |
| Authors of publication | Li, Na; Li, Chenghui; Zhou, Qianying; Zhang, Xin; Deng, Zhouming; Jiang, Zhong-Xing; Yang, Zhigang |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| a | 9.86943 ± 0.00017 Å |
| b | 17.5275 ± 0.0003 Å |
| c | 26.1199 ± 0.0005 Å |
| α | 95.7908 ± 0.0014° |
| β | 99.8803 ± 0.0015° |
| γ | 106.339 ± 0.0016° |
| Cell volume | 4218.1 ± 0.14 Å3 |
| Cell temperature | 131 ± 19 K |
| Ambient diffraction temperature | 131 ± 19 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0927 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.2025 |
| Weighted residual factors for all reflections included in the refinement | 0.2588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296973 (current) | 2024-12-26 | cif/ Adding structures of 1573543 via cif-deposit CGI script. |
1573543.cif |
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Users of the data should acknowledge the original authors of the
structural data.