Information card for entry 4037621

Structure parameters

• Formula: C34 H28 O2 Si
• Calculated formula: C34 H28 O2 Si
• SMILES: [Si]1(c2ccccc2)(c2ccccc2)C(=C(c2c1cccc2)c1ccc(OC)cc1)c1ccc(OC)cc1
• 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: 10.48162 ± 0.00016 Å
• b: 25.1927 ± 0.0003 Å
• c: 10.92227 ± 0.00018 Å
• α: 90°
• β: 112.693 ± 0.0019°
• γ: 90°
• Cell volume: 2660.87 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No