Information card for entry 2207396

Structure parameters

• Chemical name: 4-{2-[2-(4-Formyl-2-methoxyphenoxy)ethoxy]ethoxy}-3-methoxybenzaldehyde
• Formula: C20 H22 O7
• Calculated formula: C20 H22 O7
• SMILES: O=Cc1ccc(OCCOCCOc2ccc(cc2OC)C=O)c(OC)c1
• Title of publication: 4-{2-[2-(4-Formyl-2-methoxyphenoxy)ethoxy]ethoxy}-3-methoxybenzaldehyde
• Authors of publication: Qi, Ai-Di; Zhu, Qing-Hua; He, Yong-Zhi; Ren, Xiao-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3784 - o3785
• a: 8.0786 ± 0.0016 Å
• b: 30.476 ± 0.006 Å
• c: 8.4775 ± 0.0017 Å
• α: 90°
• β: 117.817 ± 0.003°
• γ: 90°
• Cell volume: 1846 ± 0.6 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: 0.1066
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes