Information card for entry 1506336

Structure parameters

• Chemical name: 4-(3-Butyl-2,5-diphenyl-3H-imidazol-4-yl)pyridine
• Formula: C25 H26 N2 O
• Calculated formula: C25 H26 N2 O
• SMILES: n1c(n(c(c1c1ccccc1)c1ccccc1)CCCC)c1ccccc1.O
• Title of publication: A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker
• Authors of publication: Li, Weiwei; Lam, Yulin
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 644
• a: 9.9752 ± 0.0011 Å
• b: 10.434 ± 0.0012 Å
• c: 11.2679 ± 0.0013 Å
• α: 90.172 ± 0.003°
• β: 109.741 ± 0.002°
• γ: 109.322 ± 0.002°
• Cell volume: 1032.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No