Information card for entry 7117689

Structure parameters

• Chemical name: EH-ICor-2CN
• Formula: C32 H23 N3 O2
• Calculated formula: C32 H23 N3 O2
• Title of publication: Corannulene derivatives with low LUMO levels and dense convex-concave packing for n-channel organic field-effect transistors
• Authors of publication: Rui Chen; Ru-Qiang Lu; Ke Shi; Fan Wu; Hong-Xun Fang; Zhe-Xuan Niu; Xiao-Yun Yan; Ming Luo; Xin-Chang Wang; Chi-Yuan Yang; Xiao-Ye Wang; Binbin Xu; Haiping Xia; Jian Pei; Xiao-Yu Cao
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13768
• a: 33.04 ± 0.003 Å
• b: 21.838 ± 0.0018 Å
• c: 7.2037 ± 0.0007 Å
• α: 90°
• β: 95.946 ± 0.009°
• γ: 90°
• Cell volume: 5169.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1949
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.3431
• Weighted residual factors for all reflections included in the refinement: 0.391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No