Information card for entry 2010263

Structure parameters

• Formula: C8 H6 S2
• Calculated formula: C8 H6 S2
• SMILES: c1csc(c1)c1cccs1
• Title of publication: Bithiophene at 133 K
• Authors of publication: Pelletier, M.; Brisse, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1942 - 1945
• a: 7.734 ± 0.004 Å
• b: 5.729 ± 0.003 Å
• c: 8.933 ± 0.005 Å
• α: 90°
• β: 106.72 ± 0.04°
• γ: 90°
• Cell volume: 379.1 ± 0.4 ų
• Cell temperature: 173 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 3.147
• Diffraction radiation wavelength: 0.710688 Å
• Diffraction radiation type: MoKᾱ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No