Information card for entry 7236876

Structure parameters

• Formula: C H N O S
• Calculated formula: C3.29032 N0.193548 O0.387097 S0.193548
• Title of publication: Dithienylbenzodiimide: a new electron-deficient unit for n-type polymer semiconductors
• Authors of publication: Chen, Jianhua; Zhang, Xianhe; Wang, Gang; Uddin, Mohammad Afsar; Tang, Yumin; Wang, Yulun; Liao, Qiaogan; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 37
• Pages of publication: 9559
• a: 9.639 ± 0.005 Å
• b: 11.745 ± 0.005 Å
• c: 22.285 ± 0.008 Å
• α: 76.86 ± 0.05°
• β: 81.81 ± 0.03°
• γ: 88.16 ± 0.04°
• Cell volume: 2431.8 ± 1.9 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2041
• Residual factor for significantly intense reflections: 0.1597
• Weighted residual factors for significantly intense reflections: 0.3872
• Weighted residual factors for all reflections included in the refinement: 0.4633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No