Information card for entry 2207262

Structure parameters

• Formula: C18 H18 O6
• Calculated formula: C18 H18 O6
• SMILES: O=Cc1ccc(OC)c(OCCOc2c(OC)ccc(c2)C=O)c1
• Title of publication: 3-[2-(5-Formyl-2-methoxyphenoxy)ethoxy]-4-methoxybenzaldehyde
• 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: 11
• Pages of publication: o3946 - o3947
• a: 8.152 ± 0.0017 Å
• b: 8.4524 ± 0.0018 Å
• c: 13.496 ± 0.003 Å
• α: 76.932 ± 0.003°
• β: 80.645 ± 0.004°
• γ: 61.528 ± 0.003°
• Cell volume: 794.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes