Information card for entry 4518050

Structure parameters

• Common name: NBTA
• Formula: C24 H14 N2 S2
• Calculated formula: C24 H14 N2 S2
• Title of publication: Efficient Organic Light-Emitting Transistors Based on High-Quality Ambipolar Single Crystals.
• Authors of publication: Wan, Yuejuan; Deng, Jian; Wu, Wanling; Zhou, Jiadong; Niu, Quan; Li, Haoyuan; Yu, Huakang; Gu, Cheng; Ma, Yuguang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 39
• Pages of publication: 43976 - 43983
• a: 6.95686 ± 0.00016 Å
• b: 4.79577 ± 0.00013 Å
• c: 28.14 ± 0.0007 Å
• α: 90°
• β: 94.683 ± 0.002°
• γ: 90°
• Cell volume: 935.71 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0411
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No