Information card for entry 2217075

Structure parameters

• Chemical name: 2,6-Bis[1-(2-isopropylphenylimino)ethyl]pyridine
• Formula: C27 H31 N3
• Calculated formula: C27 H31 N3
• SMILES: n1c(cccc1/C(=N/c1c(cccc1)C(C)C)C)/C(=N/c1c(cccc1)C(C)C)C
• Title of publication: 2,6-Bis[1-(2-isopropylphenylimino)ethyl]pyridine
• Authors of publication: Giuseppe Agrifoglio; Julian Reyes; Reinaldo Atencio; Alexander Briceño
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o28 - o29
• a: 16.9462 ± 0.0018 Å
• b: 6.791 ± 0.004 Å
• c: 21.801 ± 0.004 Å
• α: 90°
• β: 104.551 ± 0.013°
• γ: 90°
• Cell volume: 2428.4 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.1062
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes