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Information card for entry 7129184
Preview
| Coordinates | 7129184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 Cl F N O2 |
|---|---|
| Calculated formula | C14 H11 Cl F N O2 |
| SMILES | c1cc(ccc1c1c(cc(C(=O)OCC)nc1)F)Cl |
| Title of publication | Cu/Base Co-catalyzed [3 + 3] Cycloaddition for the Synthesis of Highly Functionalized 4-Fluoropyridines |
| Authors of publication | Dong, Jinhuan; Feng, Wanzhong; Wang, Lei; Li, Mei; Chen, Zhe; Xu, Xianxiu |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 7.3135 ± 0.0007 Å |
| b | 7.6484 ± 0.0006 Å |
| c | 12.3996 ± 0.0011 Å |
| α | 103.627 ± 0.007° |
| β | 97.874 ± 0.008° |
| γ | 98.131 ± 0.007° |
| Cell volume | 656.75 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0603 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1399 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270213 (current) | 2021-11-03 | cif/ Adding structures of 7129182, 7129183, 7129184 via cif-deposit CGI script. |
7129184.cif |
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