Information card for entry 4131471

Structure parameters

• Formula: C251 H234 Ag4 Cl6 F24 N8 O6 S4 Sb4 Si8
• Calculated formula: C251 H234 Ag4 Cl6 F24 N8 O6 S4 Sb4 Si8
• 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: 23.3109 ± 0.0009 Å
• b: 23.5067 ± 0.0008 Å
• c: 24.241 ± 0.0009 Å
• α: 111.063 ± 0.0009°
• β: 100.297 ± 0.001°
• γ: 92.7909 ± 0.0011°
• Cell volume: 12103.5 ± 0.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.2923
• Weighted residual factors for all reflections included in the refinement: 0.3406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No