Information card for entry 1516670

Structure parameters

• Formula: C42 H50 S2 Si2
• Calculated formula: C42 H50 S2 Si2
• Title of publication: Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials
• Authors of publication: Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 3627
• a: 7.4177 ± 0.001 Å
• b: 14.5332 ± 0.0016 Å
• c: 18.922 ± 0.002 Å
• α: 73.889 ± 0.008°
• β: 84.135 ± 0.01°
• γ: 78.229 ± 0.01°
• Cell volume: 1916.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No