Information card for entry 2225635

Structure parameters

• Chemical name: 3,3'-bithiophene
• Formula: C8 H6 S2
• Calculated formula: C8 H6 S2
• SMILES: c1scc(c1)c1cscc1
• Title of publication: 3,3'-Bithiophene
• Authors of publication: Costa, José C. S.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o916
• a: 7.5187 ± 0.0007 Å
• b: 18.2181 ± 0.0017 Å
• c: 5.5029 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 753.77 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes