Information card for entry 4080914

Structure parameters

• Formula: C7 H26 B11 N O Si
• Calculated formula: C7 H26 B11 N O Si
• SMILES: [Si]1(OC(=[N+](C1)C)C)(C)C.[CH]1234[BH]567[BH]89%10[BH]%11%125[BH]5%138[BH]8%14%15[BH]%161([BH]128[BH]95%14[BH]47%101)[BH]%11%13%15[BH]36%12%16
• 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: 13.841 ± 0.004 Å
• b: 15.636 ± 0.005 Å
• c: 8.021 ± 0.006 Å
• α: 90°
• β: 90.04 ± 0.04°
• γ: 90°
• Cell volume: 1735.9 ± 1.5 ų
• Cell temperature: 203.2 K
• Ambient diffraction temperature: 203.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No