Information card for entry 2206730

Structure parameters

• 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 ų
• 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