Information card for entry 4020075

Structure parameters

• Formula: C16 H10 O2 S2
• Calculated formula: C16 H10 O2 S2
• Title of publication: Synthesis and Structural, Electronic, and Optical Properties of Oligo(thienylfuran)s in Comparison with Oligothiophenes and Oligofurans
• Authors of publication: Yasuo Miyata; Tohru Nishinaga; Koichi Komatsu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1147 - 1153
• a: 5.6757 ± 0.001 Å
• b: 21.665 ± 0.004 Å
• c: 16.651 ± 0.003 Å
• α: 90°
• β: 94.057 ± 0.003°
• γ: 90°
• Cell volume: 2042.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1615
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No