Information card for entry 1516671

Structure parameters

• Formula: C34 H38 S Si2
• Calculated formula: C34 H38 S Si2
• SMILES: [Si](C#CC1=C2SC3=C(c4c(C3=C2c2c1cccc2)cccc4)C#C[Si](CC)(CC)CC)(CC)(CC)CC
• 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: 7.0866 ± 0.0008 Å
• b: 16.2124 ± 0.0019 Å
• c: 26.849 ± 0.003 Å
• α: 85.812 ± 0.01°
• β: 84.502 ± 0.007°
• γ: 77.978 ± 0.007°
• Cell volume: 2998.7 ± 0.6 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: 0.1495
• Residual factor for significantly intense reflections: 0.1233
• Weighted residual factors for significantly intense reflections: 0.2892
• Weighted residual factors for all reflections included in the refinement: 0.3028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No