Information card for entry 4029112

Structure parameters

• Formula: C57 H83 Cl3 O S8 Si8
• Calculated formula: C57 H81 Cl3 O S8 Si8
• 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: 12.877 ± 0.002 Å
• b: 17.258 ± 0.003 Å
• c: 18.33 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4073.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No