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Information card for entry 1555898
Preview
| Coordinates | 1555898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 F2 |
|---|---|
| Calculated formula | C18 H10 F2 |
| SMILES | FC(=CC#Cc1c2ccccc2cc2ccccc12)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 | 8.5766 ± 0.0009 Å |
| b | 19.0076 ± 0.0018 Å |
| c | 7.8189 ± 0.0009 Å |
| α | 90° |
| β | 92.3 ± 0.005° |
| γ | 90° |
| Cell volume | 1273.6 ± 0.2 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239223 (current) | 2019-11-24 | cif/ Adding structures of 1555898 via cif-deposit CGI script. |
1555898.cif |
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