Information card for entry 1502169

Structure parameters

• Formula: C38 H48 N2 S2 Si2
• Calculated formula: C38 H48 N2 S2 Si2
• SMILES: c12c(c3cc4cc5c(cc4cc3c(c1nsn2)C#C[Si](C(C)C)(C(C)C)C(C)C)scc5)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.
• Authors of publication: Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2642 - 2645
• a: 7.7416 ± 0.0015 Å
• b: 13.653 ± 0.003 Å
• c: 17.403 ± 0.004 Å
• α: 96.55 ± 0.03°
• β: 96.65 ± 0.03°
• γ: 101.67 ± 0.03°
• Cell volume: 1771.3 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1777
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No