Information card for entry 2010286

Structure parameters

• Formula: C9 H6 O S2
• Calculated formula: C9 H6 O S2
• SMILES: O=Cc1ccc(s1)c1cccs1
• Title of publication: 2,2'-Bithiophene-5-carbaldehyde
• Authors of publication: Armes, S.P.; Chaloner, P.A.; Hitchcock, P.B.; Simmons, M.R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1945 - 1947
• a: 7.49 ± 0.002 Å
• b: 21.689 ± 0.003 Å
• c: 11.17 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.6 ± 1.1 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 1.6
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No