Information card for entry 7249049

Structure parameters

• Common name: Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluoro(4-methoxyphenyl)diphenylsilicate(1-)
• Chemical name: Tetrabutylammonium difluoro(4-methoxyphenyl)diphenylsilicate
• Formula: C35 H53 F2 N O Si
• Calculated formula: C35 H53 F2 N O Si
• Title of publication: Modified aryldifluorophenylsilicates with improved activity and selectivity in nucleophilic fluorination of secondary substrates
• Authors of publication: Trojan, Michal; Hroch, Adam; Gruden, Evelin; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 31
• Pages of publication: 22326 - 22334
• a: 9.632 ± 0.0002 Å
• b: 18.7983 ± 0.0004 Å
• c: 19.1207 ± 0.0004 Å
• α: 90°
• β: 102.451 ± 0.0008°
• γ: 90°
• Cell volume: 3380.67 ± 0.12 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9995
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No