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Information card for entry 1554815
Preview
| Coordinates | 1554815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 F2 N O |
|---|---|
| Calculated formula | C19 H21 F2 N O |
| SMILES | O=C(NC)C(Cc1ccccc1)(c1ccc(cc1)C)CC(F)F |
| Title of publication | Fluoroalkylative aryl migration of conjugated N-arylsulfonylated amides using easily accessible sodium di- and monofluoroalkanesulfinates. |
| Authors of publication | He, Zhengbiao; Tan, Ping; Ni, Chuanfa; Hu, Jinbo |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1838 - 1841 |
| a | 9.9286 ± 0.0007 Å |
| b | 17.0093 ± 0.0013 Å |
| c | 10.0841 ± 0.0008 Å |
| α | 90° |
| β | 90.259 ± 0.004° |
| γ | 90° |
| Cell volume | 1703 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.1673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238137 (current) | 2019-11-24 | cif/ Adding structures of 1554815 via cif-deposit CGI script. |
1554815.cif |
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