Information card for entry 4503459

Structure parameters

• Formula: C26 H16 N2 S4
• Calculated formula: C26 H16 N2 S4
• SMILES: s1c(c2ncccc2)ccc1c1sc(cc1)c1sc(cc1)c1sc(cc1)c1ncccc1
• Title of publication: Crystal Packing Motifs of Oligothiophenes End-Capped withN-Containing Aryls
• Authors of publication: Yue, Wei; Tian, HongKun; Hu, Ninghai; Geng, Yanhou; Wang, Fosong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2352
• a: 9.75 ± 0.002 Å
• b: 16.272 ± 0.003 Å
• c: 27.749 ± 0.006 Å
• α: 90°
• β: 91.229 ± 0.003°
• γ: 90°
• Cell volume: 4401.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No