Information card for entry 7120989

Structure parameters

• Chemical name: 1,5-bis(t-butyldimethylsiloxy)hexaisobutylbicyclo[3.3.3]pentasiloxane
• Formula: C18 H42 O4 Si3.5
• Calculated formula: C18 H42 O4 Si3.5
• Title of publication: Facile synthesis and bridgehead-functionalization of bicyclo[3.3.3]pentasiloxanes
• Authors of publication: Yokouchi, Yuki; Ishida, Shintaro; Onodera, Tsunenobu; Oikawa, Hidetoshi; Iwamoto, Takeaki
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 19.0349 ± 0.0005 Å
• b: 13.7423 ± 0.0003 Å
• c: 21.0422 ± 0.0005 Å
• α: 90°
• β: 103.889 ± 0.001°
• γ: 90°
• Cell volume: 5343.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0945
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No