Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569907
Preview
| Coordinates | 1569907.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H23 F3 N2 O3 |
|---|---|
| Calculated formula | C34 H23 F3 N2 O3 |
| SMILES | FC(F)(F)C1=C(C(c2c(n(Cc3ccccc3)c3c2cccc3)/C(=C\C(=O)OC)O1)c1cc2ccccc2cc1)C#N |
| 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 | 10.038 ± 0.0005 Å |
| b | 12.1514 ± 0.0006 Å |
| c | 12.3554 ± 0.0007 Å |
| α | 77.395 ± 0.002° |
| β | 67.131 ± 0.002° |
| γ | 85.909 ± 0.002° |
| Cell volume | 1354.98 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.0971 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
1569907.cif |
| 286416 | 2023-09-20 | cif/ Adding structures of 1569903, 1569904, 1569905, 1569906, 1569907, 1569908 via cif-deposit CGI script. |
1569907.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.