Information card for entry 7237331

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: 14.239 ± 0.003 Å
• b: 9.3938 ± 0.0019 Å
• c: 9.0364 ± 0.0018 Å
• α: 90°
• β: 102.22 ± 0.03°
• γ: 90°
• Cell volume: 1181.3 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0586
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No