Information card for entry 1559343

Structure parameters

• Formula: C25 H16 N2 O
• Calculated formula: C25 H16 N2 O
• SMILES: O=C(n1c2c(c3c1cccc3)cccc2)n1c2c(c3c1cccc3)cccc2
• 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: 16.125 ± 0.012 Å
• b: 5.437 ± 0.004 Å
• c: 22.259 ± 0.017 Å
• α: 90°
• β: 110.185 ± 0.015°
• γ: 90°
• Cell volume: 1832 ± 2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 298.95 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: 0.1459
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No