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Information card for entry 4034761
Preview
| Coordinates | 4034761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 N2 O5 |
|---|---|
| Calculated formula | C16 H16 N2 O5 |
| SMILES | N(C=O)(C)C.O=C(O)c1ccc(c2ccc(N(=O)=O)cc2)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 | 7.9772 ± 0.0005 Å |
| b | 9.3301 ± 0.0005 Å |
| c | 11.0632 ± 0.0006 Å |
| α | 87.994 ± 0.003° |
| β | 71.069 ± 0.003° |
| γ | 79.461 ± 0.003° |
| Cell volume | 765.47 ± 0.08 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 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 | 0.1223 |
| Residual factor for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226284 (current) | 2019-11-11 | cif/ Adding structures of 4034761 via cif-deposit CGI script. |
4034761.cif |
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Users of the data should acknowledge the original authors of the
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