Information card for entry 7200585

Structure parameters

• Formula: C55 H64 N Si2
• Calculated formula: C57 H62 N Si2
• Title of publication: Soluble n-type pentacene derivatives as novel acceptors for organic solar cells
• Authors of publication: Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.; Anthony, John E.; Malliaras, George G.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 3049
• a: 16.8241 ± 0.0006 Å
• b: 17.0411 ± 0.0009 Å
• c: 16.1283 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4624 ± 0.4 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1779
• Residual factor for significantly intense reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.2931
• Weighted residual factors for all reflections included in the refinement: 0.3801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No