Information card for entry 7237330

Structure parameters

• Formula: C28 H22 O2 S4
• Calculated formula: C28 H22 O2 S4
• Title of publication: The effect of 1D- and 2D-polymorphs on organic single-crystal optoelectronic devices: lasers and field effect transistors
• Authors of publication: Liao, Qing; Wang, Zhen; Gao, Qinggang; Zhang, Zhaoyi; Ren, Jiahuan; De, Jianbo; Zhang, Xiaosen; Xu, Zhenzhen; Fu, Hongbing
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 30
• Pages of publication: 7994
• a: 10.771 ± 0.002 Å
• b: 5.5138 ± 0.0011 Å
• c: 20.877 ± 0.004 Å
• α: 90°
• β: 98.08 ± 0.03°
• γ: 90°
• Cell volume: 1227.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No