Information card for entry 7120988

Structure parameters

• Chemical name: 1,5-bis(t-butyldimethylsiloxy)hexaisobutylbicyclo[3.3.3]pentasiloxane
• Formula: C36 H84 O8 Si7
• Calculated formula: C36 H84 O8 Si7
• SMILES: C(C(C)C)[Si]1(O[Si]2(O[Si](CC(C)C)(CC(C)C)O[Si](O1)(O[Si](O2)(CC(C)C)CC(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC(C)C
• 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: 18.2557 ± 0.0012 Å
• b: 13.4289 ± 0.0009 Å
• c: 21.0576 ± 0.0013 Å
• α: 90°
• β: 104.555 ± 0.001°
• γ: 90°
• Cell volume: 4996.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No