Information card for entry 1559342

Structure parameters

• Formula: C25 H18 N2
• Calculated formula: C25 H18 N2
• SMILES: n1(c2c(c3c1cccc3)cccc2)Cn1c2ccccc2c2c1cccc2
• Title of publication: Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications
• Authors of publication: Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei
• Journal of publication: Materials Horizons
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 3298 - 3304
• a: 4.9504 ± 0.0007 Å
• b: 18.053 ± 0.002 Å
• c: 19.902 ± 0.003 Å
• α: 90°
• β: 92.566 ± 0.003°
• γ: 90°
• Cell volume: 1776.8 ± 0.4 ų
• Cell temperature: 295.68 K
• Ambient diffraction temperature: 295.68 K
• Number of distinct elements: 3
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No