Information card for entry 1520574

Structure parameters

• Chemical name: 4-(4-methoxyphenyl)-3-methyl-2-phenylpyridine
• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: n1c(c(c(cc1)c1ccc(cc1)OC)C)c1ccccc1
• Title of publication: Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation.
• Authors of publication: Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3222 - 3225
• a: 7.4565 ± 0.0001 Å
• b: 18.3137 ± 0.0002 Å
• c: 20.6855 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2824.73 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9741
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No