Information card for entry 7153318

Structure parameters

• Common name: (E)-2-tert-Butyl-3-methoxy-6-methyl-4-styrylpyridine
• Chemical name: (E)-2-tert-Butyl-3-methoxy-6-methyl-4-styrylpyridine
• Formula: C19 H23 N O
• Calculated formula: C19 H23 N O
• SMILES: c1(c(c(cc(C)n1)/C=C/c1ccccc1)OC)C(C)(C)C
• Title of publication: A three-component synthesis of beta-alkoxy-beta-keto-enamides‒flexible precursors for 4-hydroxypyridine derivatives and their palladium-catalysed reactions.
• Authors of publication: Lechel, Tilman; Dash, Jyotirmayee; Eidamshaus, Christian; Brüdgam, Irene; Lentz, Dieter; Reissig, Hans-Ulrich
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 3007 - 3014
• a: 13.141 ± 0.004 Å
• b: 8.066 ± 0.002 Å
• c: 15.156 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1606.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No