Information card for entry 2012125

Structure parameters

• Formula: C17 H10 S5
• Calculated formula: C17 H10 S5
• SMILES: S=C1SC2=C(S1)SC(=C(S2)c1ccccc1)c1ccccc1
• Title of publication: 5,6-Diphenyl[1,3]dithiolo[4,5-<i>b</i>]dithiine-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: 8
• Pages of publication: 926 - 928
• a: 12.343 ± 0.002 Å
• b: 5.273 ± 0.001 Å
• c: 26.029 ± 0.007 Å
• α: 90°
• β: 101.54 ± 0.02°
• γ: 90°
• Cell volume: 1659.8 ± 0.6 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No