Information card for entry 1504716

Structure parameters

• Formula: C10 H4 F3 N O
• Calculated formula: C10 H4 F3 N O
• Title of publication: Trifluoromethyltriphenodioxazine: air-stable and high-performance n-type semiconductor.
• Authors of publication: Di, Chong-an; Li, Jing; Yu, Gui; Xiao, Yi; Guo, Yunlong; Liu, Yunqi; Qian, Xuhong; Zhu, Daoben
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3025 - 3028
• a: 4.833 ± 0.001 Å
• b: 5.948 ± 0.0012 Å
• c: 14.956 ± 0.003 Å
• α: 86.41 ± 0.03°
• β: 86.07 ± 0.03°
• γ: 77.26 ± 0.03°
• Cell volume: 417.87 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1724
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No