Information card for entry 4029110

Structure parameters

• Formula: C14 H22 S2 Si2
• Calculated formula: C14 H22 S2 Si2
• SMILES: s1c([Si](C)(C)C)ccc1c1cc(sc1)[Si](C)(C)C
• Title of publication: Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.
• Authors of publication: Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 5
• Pages of publication: 2255 - 2262
• a: 6.4284 ± 0.0009 Å
• b: 14.765 ± 0.002 Å
• c: 19.116 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No