Information card for entry 4131472

Structure parameters

• Formula: C20 H32 N2 S2 Si4
• Calculated formula: C20 H32 N2 S2 Si4
• SMILES: s1c2[Si]([Si](c3sc([Si]([Si](c1cc2)(C)C)(C)C)c1nc(c(nc31)C)C)(C)C)(C)C
• Title of publication: Multifunctional Octamethyltetrasila[2.2]cyclophanes: Conformational Variations, Circularly Polarized Luminescence, and Organic Electroluminescence.
• Authors of publication: Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Pham, Song-Toan; Yamada, Ryo; Tada, Hirokazu; Omoto, Kenichiro; Tashiro, Shohei; Shionoya, Mitsuhiko; Hattori, Mineyuki; Jimura, Keiko; Hayashi, Shigenobu; Koike, Hikaru; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 32
• Pages of publication: 11214 - 11221
• a: 8.327 ± 0.005 Å
• b: 11.182 ± 0.006 Å
• c: 14.842 ± 0.009 Å
• α: 74.592 ± 0.016°
• β: 88.77 ± 0.03°
• γ: 79.46 ± 0.03°
• Cell volume: 1309.3 ± 1.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No