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Information card for entry 1546217
Preview
| Coordinates | 1546217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 F O2 |
|---|---|
| Calculated formula | C21 H15 F O2 |
| SMILES | O1c2c(C(=O)[C@]1(c1cccc(F)c1)c1ccc(cc1)C)cccc2 |
| Title of publication | Enantioselective Synthesis of gem-Diaryl Benzofuran-3(2H)-ones via One-Pot Asymmetric Rhodium/Palladium Relay Catalysis. |
| Authors of publication | Zhang, Zong-Feng; Zhu, Dong-Xing; Chen, Wen-Wen; Xu, Bin; Xu, Ming-Hua |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 10 |
| Pages of publication | 2726 - 2729 |
| a | 6.2656 ± 0.0005 Å |
| b | 15.4462 ± 0.0011 Å |
| c | 8.1799 ± 0.0006 Å |
| α | 90° |
| β | 94.209 ± 0.003° |
| γ | 90° |
| Cell volume | 789.51 ± 0.1 Å3 |
| Cell temperature | 205 K |
| Ambient diffraction temperature | 205 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197362 (current) | 2017-06-05 | cif/ Adding structures of 1546217 via cif-deposit CGI script. |
1546217.cif |
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