Information card for entry 2225328

Structure parameters

• Chemical name: (1<i>E</i>,3<i>E</i>,5<i>E</i>,7<i>E</i>)-4,4'-(Octa-1,3,5,7-tetraene-1,8-diyl)dipyridine
• Formula: C18 H16 N2
• Calculated formula: C18 H16 N2
• SMILES: C(=C\C=C\c1ccncc1)/C=C/C=C/c1ccncc1
• Title of publication: (1<i>E</i>,3<i>E</i>,5<i>E</i>,7<i>E</i>)-4,4'-(Octa-1,3,5,7-tetraene-1,8-diyl)dipyridine
• Authors of publication: Arshad, Muhammad Nadeem; Bader, Mamoun M.; Pham, Phuong-Truc T.; Holman, K. Travis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o508
• a: 5.5565 ± 0.0012 Å
• b: 17.95 ± 0.004 Å
• c: 21.542 ± 0.005 Å
• α: 90°
• β: 94.809 ± 0.005°
• γ: 90°
• Cell volume: 2141 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes