Information card for entry 4080916

Structure parameters

• Formula: C11 H38 B11 N O Si3
• Calculated formula: C11 H38 B11 N O Si3
• SMILES: [Si]([Si]1([Si](C)(C)C)OC(=[N+](C1)C)C)(C)(C)C.[CH]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%155([BH]526[BH]2%14%15[BH]6%11%13[BH]39%10[BH]4526)[BH]781%12
• Title of publication: Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction
• Authors of publication: Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 13
• Pages of publication: 3575
• a: 15.208 ± 0.003 Å
• b: 18.923 ± 0.003 Å
• c: 8.862 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2550.3 ± 0.9 ų
• Cell temperature: 203.2 K
• Ambient diffraction temperature: 203.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No