Information card for entry 7105246

Structure parameters

• Formula: C184 H144 Cl14
• Calculated formula: C184 H144 Cl14
• Title of publication: Preparation of a tetraphenylethylene-based emitter: synthesis, structure and optoelectronic properties of tetrakis(pentaphenylphenyl)ethylene.
• Authors of publication: Vyas, Vijay S; Rathore, Rajendra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 1065 - 1067
• a: 18.2423 ± 0.0005 Å
• b: 33.992 ± 0.0009 Å
• c: 24.7441 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15343.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No