Information card for entry 2207275

Structure parameters

• Chemical name: 4-[2-(4-Formyl-2-methoxyphenoxy)ethoxy]-3-methoxybenzaldehyde
• Formula: C18 H18 O6
• Calculated formula: C18 H18 O6
• SMILES: COc1cc(C=O)ccc1OCCOc1ccc(cc1OC)C=O
• Title of publication: 4-[2-(4-Formyl-2-methoxyphenoxy)ethoxy]-3-methoxybenzaldehyde
• Authors of publication: Diao, Chun-Hua; Guo, Min-Jie; Yu, Ming; Chen, Xin; Jing, Zuo-Liang; Deng, Qi-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3741 - o3742
• a: 14.692 ± 0.004 Å
• b: 7.805 ± 0.002 Å
• c: 22.048 ± 0.006 Å
• α: 90°
• β: 108.551 ± 0.004°
• γ: 90°
• Cell volume: 2396.9 ± 1.1 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: 0.0944
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes