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Information card for entry 2023322
Preview
| Coordinates | 2023322.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,2-Bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene |
|---|---|
| Formula | C22 H6 F8 |
| Calculated formula | C22 H6 F8 |
| Title of publication | Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene |
| Authors of publication | Bosch, Eric; Bowling, Nathan P. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 12 |
| a | 21.8447 ± 0.0013 Å |
| b | 13.014 ± 0.0008 Å |
| c | 12.1123 ± 0.0007 Å |
| α | 90° |
| β | 92.62 ± 0.001° |
| γ | 90° |
| Cell volume | 3439.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296085 (current) | 2024-11-23 | cif/ Adding structures of 2023322 via cif-deposit CGI script. |
2023322.cif |
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