Information card for entry 2013103

Structure parameters

• Chemical name: 2,5-Di-2-thienylthiazolo[4,5-d]thiazole
• Formula: C12 H6 N2 S4
• Calculated formula: C12 H6 N2 S4
• SMILES: c1csc(c1)c1nc2c(s1)nc(s2)c1cccs1
• Title of publication: 2,5-Di-2-thienylthiazolo[4,5-<i>d</i>]thiazole
• Authors of publication: Wagner, Paweł; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o91 - o92
• a: 6.004 ± 0.0012 Å
• b: 8.358 ± 0.0017 Å
• c: 12.27 ± 0.003 Å
• α: 90°
• β: 92.72 ± 0.03°
• γ: 90°
• Cell volume: 615 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No