Information card for entry 2210979

Structure parameters

• Chemical name: 1,2-Bis(2,2'-bithienyl-5-yl)ethane-1,2-dione
• Formula: C18 H10 O2 S4
• Calculated formula: C18 H10 O2 S4
• SMILES: O=C(C(=O)c1ccc(s1)c1cccs1)c1ccc(s1)c1cccs1
• Title of publication: 1,2-Bis(2,2'-bithienyl-5-yl)ethane-1,2-dione
• Authors of publication: Perašínová, Lucia,; Végh, Daniel; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5100 - o5101
• a: 20.724 ± 0.004 Å
• b: 3.863 ± 0.0008 Å
• c: 21.472 ± 0.004 Å
• α: 90°
• β: 111.72 ± 0.03°
• γ: 90°
• Cell volume: 1596.9 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.06
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes