Information card for entry 4064344

Structure parameters

• Formula: C32 H24 S4 Si
• Calculated formula: C32 H24 S4 Si
• SMILES: [Si]1(c2cc(c3sc(c4sccc4)cc3)ccc2C=Cc2c1cc(cc2)c1sc(cc1)c1sccc1)(C)C
• Title of publication: Design, Synthesis, and Characterization of Functionalized Silepins: High Quantum Yield Blue Emitters
• Authors of publication: Mercier, Lauren G.; Furukawa, Shunsuke; Piers, Warren E.; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Parvez, Masood; Harrington, Ross W.; Clegg, William
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1719
• a: 18.4395 ± 0.0012 Å
• b: 6.9038 ± 0.0004 Å
• c: 23.017 ± 0.002 Å
• α: 90°
• β: 112.411 ± 0.009°
• γ: 90°
• Cell volume: 2708.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No