Information card for entry 7249050

Structure parameters

• Common name: Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluorodiphenyl[(4-trifluoromethyl)phenyl]silicate(1-)
• Chemical name: Tetrabutylammonium difluorodiphenyl[(4-trifluoromethyl)phenyl]silicate
• Formula: C35 H50 F5 N Si
• Calculated formula: C35 H50 F5 N 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: 9.6166 ± 0.0003 Å
• b: 16.7413 ± 0.0005 Å
• c: 20.8563 ± 0.0006 Å
• α: 90°
• β: 90.7602 ± 0.0011°
• γ: 90°
• Cell volume: 3357.45 ± 0.17 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.1229
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No