Information card for entry 2012202

Structure parameters

• Formula: C17 H10 S4
• Calculated formula: C17 H10 S4
• SMILES: S=C1Sc2c(S1)sc(c2c1ccccc1)c1ccccc1
• Title of publication: 5,6-Diphenylthieno[2,3-<i>d</i>][1,3]dithiole-2-thione
• Authors of publication: Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1125 - 1126
• a: 23.441 ± 0.003 Å
• b: 10.1303 ± 0.0014 Å
• c: 13.5222 ± 0.0017 Å
• α: 90°
• β: 73.822 ± 0.01°
• γ: 90°
• Cell volume: 3083.9 ± 0.7 ų
• Cell temperature: 295 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: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes