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Information card for entry 7250296
Preview
| Coordinates | 7250296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H17 F3 N2 O4 |
|---|---|
| Calculated formula | C20 H17 F3 N2 O4 |
| Title of publication | Synthesis of fluorinated 3-aminobenzofurans via a tandem SNAr-cyclocondensation strategy |
| Authors of publication | Tawell, Hugh W.; Robinson, William; Li, Yuqi; Tizzard, Graham J.; Coles, Simon J.; Bhambra, Avninder S.; Edgar, Mark; Weaver, George W. |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 16 |
| Pages of publication | 12843 - 12853 |
| a | 7.2308 ± 0.0001 Å |
| b | 10.2533 ± 0.0001 Å |
| c | 12.8367 ± 0.0002 Å |
| α | 73.334 ± 0.001° |
| β | 76.375 ± 0.002° |
| γ | 73.236 ± 0.001° |
| Cell volume | 860.78 ± 0.02 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299362 (current) | 2025-04-23 | cif/ Adding structures of 7250296 via cif-deposit CGI script. |
7250296.cif |
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Users of the data should acknowledge the original authors of the
structural data.