Information card for entry 2207677

Structure parameters

• Chemical name: 2-[4-(2-Formyl-6-methoxyphenoxy)butoxy]-3-methoxybenzaldehyde
• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: COc1cccc(c1OCCCCOc1c(OC)cccc1C=O)C=O
• Title of publication: 2-[4-(2-Formyl-6-methoxyphenoxy)butoxy]-3-methoxybenzaldehyde
• Authors of publication: Diao, Chun-Hua; Fan, Zhi; Yu, Ming; Chen, Xin; Jing, Zuo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4067 - o4068
• a: 7.068 ± 0.004 Å
• b: 16.068 ± 0.009 Å
• c: 7.745 ± 0.004 Å
• α: 90°
• β: 93.171 ± 0.01°
• γ: 90°
• Cell volume: 878.2 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes