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Information card for entry 4514085
Preview
| Coordinates | 4514085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H23 F2 N O5 |
|---|---|
| Calculated formula | C34 H23 F2 N O5 |
| SMILES | c1(c(cc2c(c1)oc(=O)c(c1ccccc1)n2)c1c(ccc(c1)F)OC)Oc1ccc(cc1)c1c(ccc(c1)F)OC |
| Title of publication | A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C‒N and C‒O Bonds |
| Authors of publication | Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 3477 |
| a | 10.0098 ± 0.0005 Å |
| b | 19.235 ± 0.001 Å |
| c | 13.3175 ± 0.0007 Å |
| α | 90° |
| β | 91.572 ± 0.002° |
| γ | 90° |
| Cell volume | 2563.2 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4514085.html
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Users of the data should acknowledge the original authors of the
structural data.