Information card for entry 4104022

Structure parameters

• Formula: C42 H48 Cl4 S Si2
• Calculated formula: C42 H48 Cl4 S Si2
• Title of publication: Chlorination: A General Route toward Electron Transport in Organic Semiconductors
• Authors of publication: Ming Lee Tang; Joon Hak Oh; Anna Devi Reichardt; Zhenan Bao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3733 - 3740
• a: 8.1232 ± 0.0004 Å
• b: 14.3079 ± 0.0006 Å
• c: 17.301 ± 0.0008 Å
• α: 101.95 ± 0.003°
• β: 92.574 ± 0.003°
• γ: 94.037 ± 0.003°
• Cell volume: 1958.72 ± 0.16 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No