Information card for entry 2230551

Structure parameters

• Chemical name: 4-{2-[2-(4-Formylphenoxy)ethoxy]ethoxy}benzaldehyde
• Formula: C18 H18 O5
• Calculated formula: C18 H18 O5
• SMILES: O=Cc1ccc(cc1)OCCOCCOc1ccc(cc1)C=O
• Title of publication: 4-{2-[2-(4-Formylphenoxy)ethoxy]ethoxy}benzaldehyde
• Authors of publication: Ma, Zhen; Cao, Yiqun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1503
• a: 15.309 ± 0.002 Å
• b: 4.5653 ± 0.0006 Å
• c: 11.8332 ± 0.0015 Å
• α: 90°
• β: 113.253 ± 0.007°
• γ: 90°
• Cell volume: 759.85 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes