Information card for entry 7048301

Structure parameters

• Formula: C15 H48 O18 Si12
• Calculated formula: C15 H48 O18 Si12
• Title of publication: Synthesis and crystal structure of double-three ring (D3R)-type cage siloxanes modified with dimethylsilanol groups.
• Authors of publication: Sato, Naoto; Tochigi, Kazuma; Kuroda, Yoshiyuki; Wada, Hiroaki; Shimojima, Atsushi; Kuroda, Kazuyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1969 - 1975
• a: 19.8884 ± 0.0004 Å
• b: 14.1218 ± 0.0003 Å
• c: 16.2519 ± 0.0003 Å
• α: 90°
• β: 101.415 ± 0.007°
• γ: 90°
• Cell volume: 4474.22 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No