Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4126142
Preview
| Coordinates | 4126142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ddd |
|---|---|
| Formula | C28 H22 |
| Calculated formula | C28 H22 |
| SMILES | c12ccccc1cc1ccccc1c2/C=C/C(C)c1ccc2cccccc12 |
| Title of publication | α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes. |
| Authors of publication | Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 13 |
| Pages of publication | 4948 - 4953 |
| a | 27.455 ± 0.002 Å |
| b | 8.9353 ± 0.0007 Å |
| c | 19.0572 ± 0.0014 Å |
| α | 90° |
| β | 125.169 ± 0.002° |
| γ | 90° |
| Cell volume | 3821.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | Cu-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197278 (current) | 2017-06-04 | cif/ Adding structures of 4126142 via cif-deposit CGI script. |
4126142.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.