Information card for entry 2010281

Structure parameters

• Formula: C8 H6 S2
• Calculated formula: C8 H6 S2
• SMILES: c1csc(c1)c1cccs1
• Title of publication: Redetermination of 2,2'-bithiophene
• Authors of publication: Chaloner, P. A.; Gunatunga, S. R.; Hitchcock, P. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1941 - 1942
• a: 7.873 ± 0.003 Å
• b: 5.771 ± 0.002 Å
• c: 8.813 ± 0.002 Å
• α: 90°
• β: 107.07 ± 0.02°
• γ: 90°
• Cell volume: 382.8 ± 0.2 ų
• Cell temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for significantly intense reflections: 2.8
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No