Information card for entry 7249051

Structure parameters

• Common name: Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluorobis(4-methoxyphenyl)phenylsilicate(1-)
• Chemical name: Tetrabutylammonium difluorobis(4-methoxyphenyl)phenylsilicate
• Formula: C36 H55 F2 N O2 Si
• Calculated formula: C36 H55 F2 N O2 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: 9.4251 ± 0.0003 Å
• b: 20.4233 ± 0.0007 Å
• c: 18.7305 ± 0.0006 Å
• α: 90°
• β: 103.315 ± 0.0017°
• γ: 90°
• Cell volume: 3508.6 ± 0.2 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: 0.0915
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections: 0.2311
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No