Information card for entry 1550412

Structure parameters

• Formula: C19 H10 Al F27 N2 O3
• Calculated formula: C19 H10 Al F27 N2 O3
• SMILES: [Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[n]1ccc(N(C)C)cc1
• Title of publication: Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation
• Authors of publication: Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.2182 ± 0.0008 Å
• b: 11.395 ± 0.0007 Å
• c: 21.1752 ± 0.0014 Å
• α: 90°
• β: 105.383 ± 0.003°
• γ: 90°
• Cell volume: 2842.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0295
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No