Information card for entry 2222824

Structure parameters

• Common name: 3155
• Chemical name: 4-[(1<i>E</i>,3<i>E</i>,5<i>E</i>)-6-(4-Pyridyl)hexa-1,3,5-trienyl]pyridine
• Formula: C16 H14 N2
• Calculated formula: C16 H14 N2
• SMILES: C(=C\C=C\c1ccncc1)/C=C/c1ccncc1
• Title of publication: 4-[(1<i>E</i>,3<i>E</i>,5<i>E</i>)-6-(4-Pyridyl)hexa-1,3,5-trienyl]pyridine
• Authors of publication: Bader, Mamoun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2006
• a: 5.837 ± 0.001 Å
• b: 17.171 ± 0.004 Å
• c: 19.227 ± 0.004 Å
• α: 90°
• β: 97.685 ± 0.004°
• γ: 90°
• Cell volume: 1909.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes