Information card for entry 7236826

Structure parameters

• Chemical name: TBT
• Formula: C30 H16
• Calculated formula: C30 H16
• Title of publication: Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors
• Authors of publication: Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 31
• Pages of publication: 7935
• a: 13.1759 ± 0.0003 Å
• b: 7.4913 ± 0.0002 Å
• c: 18.1519 ± 0.0005 Å
• α: 90°
• β: 100.99 ± 0.001°
• γ: 90°
• Cell volume: 1758.82 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 2
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No