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Information card for entry 2008446
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| Coordinates | 2008446.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-(2'-furyl)[2.2]paracyclophane |
|---|---|
| Formula | C20 H18 O |
| Calculated formula | C20 H18 O |
| SMILES | o1c(c2c3CCc4ccc(CCc(c2)cc3)cc4)ccc1 |
| Title of publication | Heterocycle-substituted [2.2]paracyclophanes |
| Authors of publication | Dix, Ina; Hopf, Henning; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 756 - 759 |
| a | 7.4177 ± 0.0008 Å |
| b | 21.393 ± 0.002 Å |
| c | 9.2734 ± 0.001 Å |
| α | 90° |
| β | 101.766 ± 0.008° |
| γ | 90° |
| Cell volume | 1440.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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