Information card for entry 4101375

Structure parameters

• Formula: C23 H21 N2 O
• Calculated formula: C23 H21 N2 O
• SMILES: O=[N]1C(C)(C)C(N=C1c1ccc2ccc3cccc4ccc1c2c34)(C)C
• Title of publication: 1-Imino nitroxide pyrene for high performance organic field-effect transistors with low operating voltage.
• Authors of publication: Wang, Ying; Wang, Hongmei; Liu, Yunqi; Di, Chong-An; Sun, Yanming; Wu, Weiping; Yu, Gui; Zhang, Deqing; Zhu, Daoben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 40
• Pages of publication: 13058 - 13059
• a: 10.392 ± 0.002 Å
• b: 7.2494 ± 0.0014 Å
• c: 24.22 ± 0.005 Å
• α: 90°
• β: 98.63 ± 0.03°
• γ: 90°
• Cell volume: 1804 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1745
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No