Information card for entry 2208207

Structure parameters

• Chemical name: 3-[6-(5-Formyl-2-methoxyphenoxy)hexyloxy]-4-methoxybenzaldehyde
• Formula: C22 H26 O6
• Calculated formula: C22 H26 O6
• SMILES: COc1ccc(cc1OCCCCCCOc1cc(C=O)ccc1OC)C=O
• Title of publication: 3-[6-(5-Formyl-2-methoxyphenoxy)hexyloxy]-4-methoxybenzaldehyde
• Authors of publication: Han, Jian-Rong; Zhen, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o432 - o433
• a: 10.867 ± 0.005 Å
• b: 5.154 ± 0.002 Å
• c: 18.454 ± 0.008 Å
• α: 90°
• β: 91.528 ± 0.007°
• γ: 90°
• Cell volume: 1033.2 ± 0.8 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: 0.1438
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes