Information card for entry 4037622

Structure parameters

• Formula: C40 H40 Si
• Calculated formula: C40 H40 Si
• Title of publication: Tetraphenylbenzosilole: An AIE Building Block for Deep-blue Emitters with High Performance in Non-doped Spin-coating OLEDs.
• Authors of publication: Feng, Weiqiang; Su, Qiang; Ma, Yao; Dzolic, Zoran; Huang, Fei; Wang, Zhiming; Chen, Shuming; Tang, Ben Zhong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 11.3399 ± 0.0003 Å
• b: 13.8595 ± 0.0004 Å
• c: 22.0282 ± 0.0006 Å
• α: 99.791 ± 0.002°
• β: 101.6 ± 0.002°
• γ: 99.044 ± 0.002°
• Cell volume: 3275.62 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No