Information card for entry 4131473

Structure parameters

• Formula: C16 H28 S2 Si4
• Calculated formula: C16 H28 S2 Si4
• SMILES: c1cc2sc1[Si](C)(C)[Si](c1ccc([Si](C)(C)[Si]2(C)C)s1)(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: 6.8068 ± 0.0005 Å
• b: 13.8764 ± 0.001 Å
• c: 11.7221 ± 0.0008 Å
• α: 90°
• β: 97.501 ± 0.005°
• γ: 90°
• Cell volume: 1097.72 ± 0.14 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No