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Information card for entry 4034764
Preview
| Coordinates | 4034764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 O2 |
|---|---|
| Calculated formula | C13 H10 O2 |
| SMILES | O=Cc1cc(c2ccccc2)ccc1O |
| 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 | 22.487 ± 0.004 Å |
| b | 5.6204 ± 0.0012 Å |
| c | 7.7323 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 977.3 ± 0.4 Å3 |
| Cell temperature | 117 ± 2 K |
| Ambient diffraction temperature | 117 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226287 (current) | 2019-11-11 | cif/ Adding structures of 4034764 via cif-deposit CGI script. |
4034764.cif |
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