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Information card for entry 2206730
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| Coordinates | 2206730.cif |
|---|---|
| Structure factors | 2206730.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2-Bis(3-thienyloxy)ethane |
|---|---|
| Formula | C10 H10 O2 S2 |
| Calculated formula | C10 H10 O2 S2 |
| SMILES | C(Oc1cscc1)COc1cscc1 |
| Title of publication | 1,2-Bis(3-thienyloxy)ethane: a thiophene-based precursor for thiophene-based azacryptand Mannich bases |
| Authors of publication | Gaël Labat; Joan Halfpenny |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o2815 - o2816 |
| a | 22.175 ± 0.003 Å |
| b | 5.3918 ± 0.0004 Å |
| c | 9.0831 ± 0.0011 Å |
| α | 90° |
| β | 111.362 ± 0.009° |
| γ | 90° |
| Cell volume | 1011.4 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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