Information card for entry 7203477

Structure parameters

• Formula: C36 H30 O6
• Calculated formula: C36 H30 O6
• SMILES: c1(C#Cc2cc(c(c(c2)OC)OC)OC)c2ccccc2c(C#Cc2cc(c(c(c2)OC)OC)OC)c2ccccc12
• Title of publication: Highly soluble acenes as semiconductors for thin film transistors
• Authors of publication: Rüdiger Schmidt; Silke Göttling; Dirk Leusser; Dietmar Stalke; Ana-Maria Krause; Frank Würthner
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 3708
• a: 5.0294 ± 0.0011 Å
• b: 7.4771 ± 0.0017 Å
• c: 19.701 ± 0.004 Å
• α: 97.683 ± 0.004°
• β: 92.558 ± 0.004°
• γ: 109.44 ± 0.004°
• Cell volume: 689.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No