Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4034765
Preview
| Coordinates | 4034765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N O5 |
|---|---|
| Calculated formula | C17 H17 N O5 |
| SMILES | O=CN(C)C.O=C(O)c1ccc(c2cc(c(O)cc2)C=O)cc1 |
| Title of publication | Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air. |
| Authors of publication | Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 24 |
| Pages of publication | 15486 - 15492 |
| a | 6.1508 ± 0.0012 Å |
| b | 8.0778 ± 0.0016 Å |
| c | 16.666 ± 0.003 Å |
| α | 89.39 ± 0.03° |
| β | 82.57 ± 0.03° |
| γ | 68.88 ± 0.03° |
| Cell volume | 765.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226288 (current) | 2019-11-11 | cif/ Adding structures of 4034765 via cif-deposit CGI script. |
4034765.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.