Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159789
Preview
| Coordinates | 7159789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 O3 |
|---|---|
| Calculated formula | C27 H22 O3 |
| SMILES | o1c(c(cc1c1c(cccc1)C)C(=O)c1c(cccc1)C)C(=O)c1c(cccc1)C |
| Title of publication | A silver-mediated radical process of β-keto sulfones for the synthesis of 2,3-diacyl furans |
| Authors of publication | Fan, Jian; Zu, Yanhong; Zheng, Zhimin; Song, Lulu; Wang, Yating; Zhou, Zhou; Liu, Yujun; Xu, Shuwen |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 9 |
| Pages of publication | 1770 - 1774 |
| a | 10.9241 ± 0.001 Å |
| b | 18.1857 ± 0.0019 Å |
| c | 11.7611 ± 0.0013 Å |
| α | 90° |
| β | 115.93 ± 0.002° |
| γ | 90° |
| Cell volume | 2101.3 ± 0.4 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 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 | 0.1124 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290278 (current) | 2024-03-04 | cif/ Updating files of 7159789 Original log message: Adding full bibliography for 7159789.cif. |
7159789.cif |
| 289250 | 2024-02-01 | cif/ Adding structures of 7159789 via cif-deposit CGI script. |
7159789.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.