Information card for entry 2226685

Structure parameters

• Chemical name: 2,2'-[(1<i>E</i>,1'<i>E</i>)-2,2'-(2,5-Dibutoxy-1,4-phenylene)bis(ethene- 2,1-diyl)]dipyridine
• Formula: C28 H32 N2 O2
• Calculated formula: C28 H32 N2 O2
• SMILES: CCCCOc1cc(/C=C/c2ccccn2)c(cc1/C=C/c1ccccn1)OCCCC
• Title of publication: 2,2'-[(1<i>E</i>,1'<i>E</i>)-2,2'-(2,5-Dibutoxy-1,4-phenylene)bis(ethene-2,1-diyl)]dipyridine
• Authors of publication: Zhang, Rui-Long; Liu, Zhao-Di; Wu, Jie-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1877
• a: 8.882 ± 0.005 Å
• b: 13.892 ± 0.005 Å
• c: 10.387 ± 0.005 Å
• α: 90 ± 0.005°
• β: 107.392 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1223 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0817
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes