Information card for entry 4036629

Structure parameters

• Formula: C42 H50 S4
• Calculated formula: C42 H50 S4
• Title of publication: Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.
• Authors of publication: Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 6
• Pages of publication: 2534 - 2542
• a: 5.3269 ± 0.0006 Å
• b: 18.171 ± 0.002 Å
• c: 21.724 ± 0.002 Å
• α: 99.222 ± 0.003°
• β: 93.005 ± 0.003°
• γ: 95.081 ± 0.003°
• Cell volume: 2062.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No