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Information card for entry 8104969
Preview
| Coordinates | 8104969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H14 F6 S |
|---|---|
| Calculated formula | C21 H14 F6 S |
| Title of publication | Crystal structure of 1-(2-methylphenyl)-2-(2-methylbenzo[b]thienyl)-3,3,4,4,5,5-hexafluorocyclopent-ene, C21H14F6S |
| Authors of publication | Jiang, Duohua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 89 - 91 |
| a | 9.9344 ± 0.0011 Å |
| b | 16.7106 ± 0.0018 Å |
| c | 11.6207 ± 0.0013 Å |
| α | 90° |
| β | 101.008 ± 0.001° |
| γ | 90° |
| Cell volume | 1893.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1466 |
| Weighted residual factors for all reflections included in the refinement | 0.1541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274163 (current) | 2022-03-31 | cif/ Adding structures of 8104969 via cif-deposit CGI script. |
8104969.cif |
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Users of the data should acknowledge the original authors of the
structural data.