Information card for entry 2227661

Structure parameters

• Chemical name: (1<i>E</i>,3<i>E</i>)-1,4-Bis(4-methoxyphenyl)buta-1,3-diene
• Formula: C18 H18 O2
• Calculated formula: C18 H18 O2
• SMILES: COc1ccc(cc1)/C=C/C=C/c1ccc(cc1)OC
• Title of publication: (1<i>E</i>,3<i>E</i>)-1,4-Bis(4-methoxyphenyl)buta-1,3-diene
• Authors of publication: Narayan, Gopinathan; Rath, Nigam P.; Das, Suresh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2678
• a: 7.3543 ± 0.0003 Å
• b: 6.2617 ± 0.0003 Å
• c: 31.3872 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1445.39 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes