Information card for entry 2008373

Structure parameters

• Formula: C4 O2 S4
• Calculated formula: C4 O2 S4
• SMILES: O=C1SC2=C(S1)SC(=O)S2
• Title of publication: 1,3,4,6-Tetrathiapentalene-2,5-dione
• Authors of publication: Harald Müller; Marie-Thérèse Averbuch
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 590 - 592
• a: 3.9321 ± 0.0008 Å
• b: 10.886 ± 0.002 Å
• c: 8.3 ± 0.0009 Å
• α: 90°
• β: 103.6 ± 0.01°
• γ: 90°
• Cell volume: 345.32 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0448
• Goodness-of-fit parameter for all reflections: 1.919
• Goodness-of-fit parameter for significantly intense reflections: 1.919
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No