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Information card for entry 4060203
Preview
| Coordinates | 4060203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-(4'-octyloxystyryl)pyridinato pentafluoroiodobenzene |
|---|---|
| Formula | C27 H27 F5 I N O |
| Calculated formula | C27 H27 F5 I N O |
| Title of publication | Halogen Bonding: A New Interaction for Liquid Crystal Formation |
| Authors of publication | H. Loc Nguyen; Peter N. Horton; Michael B. Hursthouse; Anthony C. Legon; Duncan W. Bruce |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 16 - 17 |
| a | 5.477 ± 0.005 Å |
| b | 11.963 ± 0.005 Å |
| c | 19.287 ± 0.005 Å |
| α | 95.137 ± 0.005° |
| β | 93.217 ± 0.005° |
| γ | 96.157 ± 0.005° |
| Cell volume | 1248.6 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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