Information card for entry 4080915

Structure parameters

• Formula: C42 H38 B F24 N O Si3
• Calculated formula: C42 H38 B F24 N O Si3
• SMILES: [Si]1([Si](C)(C)C)([Si](C)(C)C)OC(=[N+](C1)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• 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: 9.957 ± 0.004 Å
• b: 24.184 ± 0.005 Å
• c: 10.577 ± 0.005 Å
• α: 90°
• β: 90.14 ± 0.03°
• γ: 90°
• Cell volume: 2546.9 ± 1.7 ų
• Cell temperature: 223.2 K
• Ambient diffraction temperature: 223.2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.414
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No