Information card for entry 7159735

Structure parameters

• Common name: Benzenemethanaminium, N,N,N-trimethyl-, (TB-5-11)-difluorotriphenylsilicate(1-)
• Chemical name: Benzyltrimethylammonium difluorotriphenylsilicate
• Formula: C28 H31 F2 N Si
• Calculated formula: C28 H31 F2 N Si
• SMILES: [Si](F)(F)(c1ccccc1)(c1ccccc1)c1ccccc1.[N+](Cc1ccccc1)(C)(C)C
• Title of publication: Quaternary ammonium fluorides and difluorosilicates as nucleophilic fluorination reagents.
• Authors of publication: Trojan, Michal; Kučnirová, Kateřina; Bouzková, Šárka; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 5
• Pages of publication: 1047 - 1056
• a: 19.9358 ± 0.0004 Å
• b: 15.8356 ± 0.0003 Å
• c: 15.2943 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4828.34 ± 0.16 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9978
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No