Information card for entry 1561279

Structure parameters

• Chemical name: 2-ethoxy-4-(4-methoxyphenyl)-3-(trimethylsilyl)pyridine
• Formula: C17 H23 N O2 Si
• Calculated formula: C17 H23 N O2 Si
• SMILES: [Si](c1c(ccnc1OCC)c1ccc(OC)cc1)(C)(C)C
• Title of publication: Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes
• Authors of publication: Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 30.9518 ± 0.0006 Å
• b: 6.9485 ± 0.0002 Å
• c: 15.9226 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3424.45 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No