Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120829
Preview
| Coordinates | 7120829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H40 Cl2 O4 P2 Pd2 S2 |
|---|---|
| Calculated formula | C48 H40 Cl2 O4 P2 Pd2 S2 |
| SMILES | c1(S(=O)(=O)[Pd]2([P](c3ccccc3)(c3ccccc3)c3ccccc3)[Cl][Pd]([P](c3ccccc3)(c3ccccc3)c3ccccc3)(S(=O)(=O)c3ccccc3)[Cl]2)ccccc1 |
| Title of publication | Pd(NHC)-Catalyzed Alkylsulfonylation of Boronic Acids: A General and Efficient Approach for Sulfone Synthesis |
| Authors of publication | Tu, Tao; Zhu, Haibo; Shen, Yajing; Deng, Qinyue; Chen, Jinjin |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 15.3761 ± 0.0015 Å |
| b | 17.6529 ± 0.0017 Å |
| c | 8.9032 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2416.6 ± 0.4 Å3 |
| Number of distinct elements | 7 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.04 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202338 (current) | 2017-10-26 | cif/ Adding structures of 7120829 via cif-deposit CGI script. |
7120829.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.