Information card for entry 7116416

Structure parameters

• Formula: C H Cl S
• Calculated formula: C2.12281 H2.19298 Cl0.0526316 S0.140351
• Title of publication: Thiophene-fused bowl-shaped polycyclic aromatics with a dibenzo[a,g]corannulene core for organic field-effect transistors
• Authors of publication: Ru-Qiang Lu; Yi-Nyu Zhou; Xiao-Yun Yan; Ke Shi; Yu-Qing Zheng; Ming Luo; Xin-Chang Wang; Jian Pei; Haiping Xia; Laura Zoppi; Kim K. Baldridge; Jay S. Siegel; Xiao-Yu Cao
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1681
• a: 11.7098 ± 0.0008 Å
• b: 12.2432 ± 0.0008 Å
• c: 19.742 ± 0.0012 Å
• α: 75.953 ± 0.001°
• β: 72.973 ± 0.002°
• γ: 75.614 ± 0.002°
• Cell volume: 2576.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1884
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.3002
• Weighted residual factors for all reflections included in the refinement: 0.3612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No