Information card for entry 2240845

Structure parameters

• Chemical name: (<i>E</i>)-4,4'-(But-2-ene-1,4-diyl)bis(2-methoxyphenol)
• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• SMILES: c1(cc(C/C=C/Cc2cc(c(O)cc2)OC)ccc1O)OC
• Title of publication: Crystal structure of (<i>E</i>)-4,4'-(but-2-ene-1,4-diyl)bis(2-methoxyphenol)
• Authors of publication: Knight, Kyle S.; Carey, Patrick J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o500
• a: 4.8846 ± 0.0002 Å
• b: 10.7002 ± 0.0004 Å
• c: 29.5666 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1545.33 ± 0.1 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198.15 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: 0.0383
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes