Information card for entry 2217826

Structure parameters

• Chemical name: 1,5-Bis(2-formylphenoxy)-3-oxapentane
• Formula: C18 H18 O5
• Calculated formula: C18 H18 O5
• SMILES: O=Cc1ccccc1OCCOCCOc1ccccc1C=O
• Title of publication: 1,5-Bis(2-formylphenoxy)-3-oxapentane
• Authors of publication: Dionysio, Nívea C. F.; Bordinhão, Jairo; Visentin, Lorenzo do Canto; Ronconi, Célia Machado
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o546
• a: 27.613 ± 0.006 Å
• b: 26.404 ± 0.005 Å
• c: 4.4313 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3230.8 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes