Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566340
Preview
| Coordinates | 1566340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 O3 S |
|---|---|
| Calculated formula | C28 H28 O3 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)CC(=C=C(c1ccccc1)C(=O)c1ccccc1)C(C)(C)C |
| Title of publication | NHCs and Visible Light-mediated Photoredox Co-catalyzed 1,4-Sulfonylacylation of 1,3-Enynes for Tetrasubstituted Allenyl Ketones |
| Authors of publication | Wang, Lihong; Ma, Ruiyang; Sun, Jiaqiong; Zheng, GuangFan; Zhang, Qian |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 14.1193 ± 0.0009 Å |
| b | 10.6583 ± 0.0009 Å |
| c | 16.1923 ± 0.0013 Å |
| α | 90° |
| β | 95.636 ± 0.007° |
| γ | 90° |
| Cell volume | 2425 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1045 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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 |
|---|---|---|---|
| 272903 (current) | 2022-02-11 | cif/ Adding structures of 1566340 via cif-deposit CGI script. |
1566340.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.