Information card for entry 7237595

Structure parameters

• Formula: C32 H21 N3 S
• Calculated formula: C32 H21 N3 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: 10.1337 ± 0.0014 Å
• b: 12.1832 ± 0.0017 Å
• c: 39.958 ± 0.006 Å
• α: 90°
• β: 94.845 ± 0.007°
• γ: 90°
• Cell volume: 4915.6 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.1158
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No