Information card for entry 7233504

Structure parameters

• Formula: C52 H50 Cl4 Si3
• Calculated formula: C52 H50 Cl4 Si3
• Title of publication: How do substituents affect silole emission?
• Authors of publication: Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 5661 - 5668
• a: 11.2522 ± 0.0002 Å
• b: 24.9636 ± 0.0004 Å
• c: 18.4374 ± 0.0004 Å
• α: 90°
• β: 104.987 ± 0.002°
• γ: 90°
• Cell volume: 5002.82 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No