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Information card for entry 1555897
Preview
| Coordinates | 1555897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H17 F2 N O |
|---|---|
| Calculated formula | C24 H17 F2 N O |
| SMILES | FC(=Cc1c(n(c2ccccc12)C(=O)C)c1ccc(cc1)c1ccccc1)F |
| Title of publication | Synthesis of Difluorinated Enynes through Sonogashira-Type Coupling. |
| Authors of publication | Fujino, Takumi; Hinoue, Tomoaki; Usuki, Yoshinosuke; Satoh, Tetsuya |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 21 |
| Pages of publication | 5688 - 5691 |
| a | 8.4273 ± 0.0008 Å |
| b | 9.8386 ± 0.0009 Å |
| c | 22.562 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1870.7 ± 0.3 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239222 (current) | 2019-11-24 | cif/ Adding structures of 1555897 via cif-deposit CGI script. |
1555897.cif |
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Users of the data should acknowledge the original authors of the
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