Information card for entry 2207414

Structure parameters

• Chemical name: 3-Ethoxy-4-[2-(4-formyl-2-ethoxyphenoxy)ethoxy]benzaldehyde
• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: CCOc1cc(C=O)ccc1OCCOc1ccc(cc1OCC)C=O
• Title of publication: 3-Ethoxy-4-[2-(2-ethoxy-4-formylphenoxy)ethoxy]benzaldehyde
• Authors of publication: Han, Jian-Rong; Zhen, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4073 - o4074
• a: 4.7746 ± 0.0008 Å
• b: 8.6976 ± 0.0016 Å
• c: 21.557 ± 0.004 Å
• α: 90°
• β: 96.041 ± 0.003°
• γ: 90°
• Cell volume: 890.2 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes