Information card for entry 7237596

Structure parameters

• Formula: C31 H20 N4 S
• Calculated formula: C31 H20 N4 S
• Title of publication: Emissions from a triphenylamine‒benzothiadiazole‒monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component
• Authors of publication: Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 2430
• a: 9.2421 ± 0.0005 Å
• b: 25.8803 ± 0.0015 Å
• c: 10.1049 ± 0.0007 Å
• α: 90°
• β: 99.171 ± 0.006°
• γ: 90°
• Cell volume: 2386.1 ± 0.3 ų
• Cell temperature: 119.9 K
• Ambient diffraction temperature: 119.9 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No