Information card for entry 4503461

Structure parameters

• Formula: C26 H16 N2 S2
• Calculated formula: C26 H16 N2 S2
• SMILES: c1(sc(c2cc3ccccc3nc2)cc1)c1ccc(c2cc3ccccc3nc2)s1
• 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: 6.1928 ± 0.0011 Å
• b: 8.2608 ± 0.0014 Å
• c: 9.9612 ± 0.0017 Å
• α: 85.299 ± 0.002°
• β: 75.535 ± 0.002°
• γ: 76.1 ± 0.002°
• Cell volume: 478.86 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No