Information card for entry 1559392

Structure parameters

• Formula: C38 H34 N2 O2 Si
• Calculated formula: C38 H34 N2 O2 Si
• SMILES: [Si]1(c2ccccc2C(=C1c1ccc(cc1)C#N)c1ccc(cc1)C#N)(c1ccccc1)c1ccccc1.OCC.OCC
• Title of publication: Aggregation-Induced Electrochemiluminescence of Tetraphenylbenzosilole Derivatives in an Aqueous Phase System for Ultrasensitive Detection of Hexavalent Chromium.
• Authors of publication: Guo, Jinna; Feng, Weiqiang; Du, Peiyao; Zhang, Ruizhong; Liu, Jia; Liu, Yu; Wang, Zhiming; Lu, Xiaoquan
• Journal of publication: Analytical chemistry
• Year of publication: 2020
• Journal volume: 92
• Journal issue: 21
• Pages of publication: 14838 - 14845
• a: 24.8883 ± 0.0007 Å
• b: 7.2668 ± 0.0003 Å
• c: 34.9364 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6318.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No