Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569904
Preview
| Coordinates | 1569904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H44 N2 O8 S2 |
|---|---|
| Calculated formula | C58 H44 N2 O8 S2 |
| SMILES | Cc1ccc(S(=O)(=O)N2c3c4ccccc4oc3[C@H](c3oc(/C=C/CN(c4c([C@H](c5oc(/C=C/C2)cc5)c2ccccc2)oc2ccccc42)S(=O)(=O)c2ccc(C)cc2)cc3)c2ccccc2)cc1 |
| Title of publication | Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis. |
| Authors of publication | Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 39 |
| Pages of publication | 10867 - 10874 |
| a | 32.1431 ± 0.0008 Å |
| b | 7.189 ± 0.0002 Å |
| c | 11.8007 ± 0.0003 Å |
| α | 90° |
| β | 98.963 ± 0.002° |
| γ | 90° |
| Cell volume | 2693.57 ± 0.12 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0554 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287308 (current) | 2023-11-06 | cif/ Updating files of 1569903, 1569904, 1569905, 1569906, 1569907, 1569908 Original log message: Adding full bibliography for 1569903--1569908.cif. |
1569904.cif |
| 286416 | 2023-09-20 | cif/ Adding structures of 1569903, 1569904, 1569905, 1569906, 1569907, 1569908 via cif-deposit CGI script. |
1569904.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.