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Information card for entry 1554518
Preview
| Coordinates | 1554518.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 O3 |
|---|---|
| Calculated formula | C20 H18 O3 |
| SMILES | c1ccccc1C(=C/C(=O)c1ccccc1)/C(=C(\C)O)C(=O)C |
| Title of publication | Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds |
| Authors of publication | Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 437 |
| a | 10.476 ± 0.011 Å |
| b | 15.249 ± 0.018 Å |
| c | 11.317 ± 0.013 Å |
| α | 90° |
| β | 116.28 ± 0.03° |
| γ | 90° |
| Cell volume | 1621 ± 3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0851 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1841 |
| Weighted residual factors for all reflections included in the refinement | 0.2064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237304 (current) | 2019-11-24 | cif/ Adding structures of 1554517, 1554518 via cif-deposit CGI script. |
1554518.cif |
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Users of the data should acknowledge the original authors of the
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