Information card for entry 7203747

Structure parameters

• Formula: C11 H9 O S
• Calculated formula: C11 H9 O S
• Title of publication: Structure‒reactivity relationships in bithiophenic precursors based on the 3-phenoxythiophene building block
• Authors of publication: Leriche, Philippe; Frère, Pierre; Roncali, Jean
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 3473
• a: 19.056 ± 0.002 Å
• b: 7.536 ± 0.001 Å
• c: 13.524 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1942.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No