Information card for entry 7237598

Structure parameters

• Formula: C35 H47 B11 N4 S
• Calculated formula: C35 H47 B11 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: 38.055 ± 0.0016 Å
• b: 8.6859 ± 0.0004 Å
• c: 48.844 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16145 ± 1.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2594
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No