Information card for entry 4022453

Structure parameters

• Formula: C18 H14 O2 S2
• Calculated formula: C18 H14 O2 S2
• SMILES: C(=O)/C=C/c1ccc(/C=C/C=C/c2ccc(/C=C/C=O)s2)s1
• Title of publication: Effect of Local Molecular Structure on the Chain-Length Dependence of the Electronic Properties of Thiophene-Based π-Conjugated Systems
• Authors of publication: Pierre Frère; Jean-Manuel Raimundo; Philippe Blanchard; Jacques Delaunay; Pascal Richomme; Jean-Louis Sauvajol; Jesus Orduna; Javier Garin; Jean Roncali
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 7254 - 7265
• a: 3.929 Å
• b: 10.038 Å
• c: 11.006 Å
• α: 114.32°
• β: 92.99°
• γ: 92.9°
• Cell volume: 393.8 ų
• Cell 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 significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No