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Information card for entry 4037860
Preview
| Coordinates | 4037860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 F2 O2 |
|---|---|
| Calculated formula | C14 H10 F2 O2 |
| SMILES | Fc1cc(CC(=O)c2c(O)cccc2)cc(F)c1 |
| Title of publication | Ac2O-Mediated Dearylacetylative Dimerization of 2-Arylacetyl-1-naphthols. Synthesis of Naphtho[1,2-b]furan-3-ones. |
| Authors of publication | Chang, Meng-Yang; Chen, Kuan-Ting; Hsiao, Yu-Ting; Chen, Shin-Mei |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 7.9744 ± 0.0003 Å |
| b | 20.0084 ± 0.0006 Å |
| c | 7.1794 ± 0.0002 Å |
| α | 90° |
| β | 103.779 ± 0.002° |
| γ | 90° |
| Cell volume | 1112.54 ± 0.06 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247232 (current) | 2020-01-25 | cif/ Adding structures of 4037856, 4037857, 4037858, 4037859, 4037860 via cif-deposit CGI script. |
4037860.cif |
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Users of the data should acknowledge the original authors of the
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