Information card for entry 7234910

Structure parameters

• Formula: C54 H60 B2 Si
• Calculated formula: C54 H60 B2 Si
• Title of publication: Insights into the correlation between the molecular conformational change and AIE activity of 2,5-bis(dimesitylboryl)-3,4-diphenylsiloles
• Authors of publication: Bin Chen; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 7541 - 7545
• a: 20.8899 ± 0.0013 Å
• b: 20.488 ± 0.001 Å
• c: 23.843 ± 0.002 Å
• α: 90°
• β: 106.869 ± 0.008°
• γ: 90°
• Cell volume: 9765.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No