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Information card for entry 4034762
Preview
| Coordinates | 4034762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 O3 |
|---|---|
| Calculated formula | C14 H12 O3 |
| SMILES | C(=O)(c1ccc(c2ccc(cc2)OC)cc1)O |
| 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 | 7.265 ± 0.0011 Å |
| b | 7.4678 ± 0.0013 Å |
| c | 20.714 ± 0.003 Å |
| α | 99.558 ± 0.006° |
| β | 94.814 ± 0.006° |
| γ | 98.928 ± 0.006° |
| Cell volume | 1087.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1581 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.2252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226285 (current) | 2019-11-11 | cif/ Adding structures of 4034762 via cif-deposit CGI script. |
4034762.cif |
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