Information card for entry 7106611

Structure parameters

• Formula: C44 H52 N2 O2 S2 Si2
• Calculated formula: C44 H52 N2 O2 S2 Si2
• Title of publication: Isomerically pure electron-deficient anthradithiophenes and their acceptor performance in polymer solar cells
• Authors of publication: Zhong Li; Yee-Fun Lim; Jongbok Kim; Sean Parkin; Yueh-Lin Loo; George Malliaras; John E.Anthony
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7617
• a: 10.6703 ± 0.0003 Å
• b: 16.2068 ± 0.0004 Å
• c: 12.049 ± 0.0003 Å
• α: 90°
• β: 106.683 ± 0.001°
• γ: 90°
• Cell volume: 1995.95 ± 0.09 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No