Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555390
Preview
| Coordinates | 1555390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H25 N S2 |
|---|---|
| Calculated formula | C23 H25 N S2 |
| SMILES | s1c(cc(c1c1ccccc1)C(=S)N(C(C)C)C(C)C)c1ccccc1 |
| Title of publication | Direct C-H Bond Arylation of Thienyl Thioamides Catalyzed by Pd-Phenanthroline Complexes. |
| Authors of publication | Yamauchi, Takayuki; Shibahara, Fumitoshi; Murai, Toshiaki |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5392 - 5395 |
| a | 7.4977 ± 0.0014 Å |
| b | 11.606 ± 0.002 Å |
| c | 23.037 ± 0.005 Å |
| α | 90° |
| β | 91.639 ± 0.003° |
| γ | 90° |
| Cell volume | 2003.8 ± 0.7 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 | 0.1112 |
| Residual factor for significantly intense reflections | 0.0648 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238601 (current) | 2019-11-24 | cif/ Adding structures of 1555390 via cif-deposit CGI script. |
1555390.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.