Information card for entry 7212926

Structure parameters

• Formula: C28 H30 O2 S2
• Calculated formula: C28 H30 O2 S2
• SMILES: c1c2c3sc(cc3C(=O)c2cc2c1C(=O)c1c2sc(c1)CCCCCC)CCCCCC
• Title of publication: A feasibly synthesized ladder-type conjugated molecule as the novel high mobility n-type organic semiconductor
• Authors of publication: Tian, Hongkun; Deng, Yunfeng; Pan, Feng; Huang, Lizhen; Yan, Donghang; Geng, Yanhou; Wang, Fosong
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 37
• Pages of publication: 7998
• a: 5.1178 ± 0.001 Å
• b: 7.8729 ± 0.0013 Å
• c: 15.815 ± 0.003 Å
• α: 85.153 ± 0.005°
• β: 88.003 ± 0.004°
• γ: 76.368 ± 0.004°
• Cell volume: 617 ± 0.2 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: 0.0648
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No