Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247198
Preview
| Coordinates | 7247198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H23 N O3 S |
|---|---|
| Calculated formula | C30 H23 N O3 S |
| SMILES | S(=O)(=O)(/C(=C/C(=O)n1c2c(cc1c1ccccc1)cccc2)c1ccccc1)c1ccc(cc1)C |
| Title of publication | CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis |
| Authors of publication | Gao, Yuzhen; Liu, Siqing; Su, Weiping |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 18 |
| Pages of publication | 7335 - 7343 |
| a | 8.3269 ± 0.0008 Å |
| b | 11.8421 ± 0.0012 Å |
| c | 13.6257 ± 0.0014 Å |
| α | 69.743 ± 0.004° |
| β | 74.537 ± 0.004° |
| γ | 81.231 ± 0.004° |
| Cell volume | 1212.2 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.145 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1731 |
| Weighted residual factors for all reflections included in the refinement | 0.2314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.257 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286753 (current) | 2023-10-06 | cif/ Updating files of 7247197, 7247198, 7247199 Original log message: Adding full bibliography for 7247197--7247199.cif. |
7247198.cif |
| 285635 | 2023-08-12 | cif/ Adding structures of 7247197, 7247198, 7247199 via cif-deposit CGI script. |
7247198.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.