Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159751
Preview
| Coordinates | 7159751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 O4 |
|---|---|
| Calculated formula | C19 H18 O4 |
| SMILES | O=C(O)c1c2ccc(c1)CCc1cc(c(CC2)cc1)C(=O)OC |
| Title of publication | The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes. |
| Authors of publication | Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 47 |
| Pages of publication | 9330 - 9336 |
| a | 7.7133 ± 0.0002 Å |
| b | 11.0969 ± 0.0003 Å |
| c | 17.3223 ± 0.0006 Å |
| α | 90° |
| β | 92.53 ± 0.001° |
| γ | 90° |
| Cell volume | 1481.23 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0959 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288699 (current) | 2024-01-05 | cif/ Adding structures of 7159750, 7159751, 7159752, 7159753 via cif-deposit CGI script. |
7159751.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.