Information card for entry 2213408

Structure parameters

• Chemical name: (E)-4,4'-(But-2-ene-1,4-diyldioxy)bis(3-methoxybenzaldehyde)
• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: COc1cc(C=O)ccc1OC/C=C/COc1ccc(cc1OC)C=O
• Title of publication: (<i>E</i>)-4,4'-(But-2-ene-1,4-diyldioxy)bis(3-methoxybenzaldehyde)
• Authors of publication: Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Er, Mustafa; Vázquez-López, Ezequiel M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2452 - o2452
• a: 4.0639 ± 0.0009 Å
• b: 15.617 ± 0.003 Å
• c: 13.735 ± 0.003 Å
• α: 90°
• β: 92.212 ± 0.004°
• γ: 90°
• Cell volume: 871.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes