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Information card for entry 1565674
Preview
| Coordinates | 1565674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 O3 |
|---|---|
| Calculated formula | C20 H16 O3 |
| SMILES | o1c(c(c(c1C)C(=O)C)C(=O)c1ccccc1)c1ccccc1 |
| Title of publication | Photocatalytic synthesis of tetra-substituted furans promoted by carbon dioxide. |
| Authors of publication | Tian, Ya-Ming; Wang, Huaiju; Ritu, ?; König, Burkhard |
| Journal of publication | Chemical science |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 241 - 246 |
| a | 7.5343 ± 0.0001 Å |
| b | 17.2112 ± 0.0001 Å |
| c | 11.5465 ± 0.0001 Å |
| α | 90° |
| β | 95.379 ± 0.001° |
| γ | 90° |
| Cell volume | 1490.69 ± 0.03 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 272565 (current) | 2022-02-04 | cif/ Updating files of 1565674 Original log message: Adding full bibliography for 1565674.cif. |
1565674.cif |
| 271349 | 2021-12-13 | cif/ Adding structures of 1565674 via cif-deposit CGI script. |
1565674.cif |
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Users of the data should acknowledge the original authors of the
structural data.