Information card for entry 2207566

Structure parameters

• Chemical name: 3-[2-(3-Formylphenoxy)ethoxy]benzaldehyde
• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: O=Cc1cccc(c1)OCCOc1cccc(c1)C=O
• Title of publication: 3-[2-(3-Formylphenoxy)ethoxy]benzaldehyde
• 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: 12
• Pages of publication: o4250 - o4251
• a: 5.6966 ± 0.0014 Å
• b: 16.098 ± 0.004 Å
• c: 7.4113 ± 0.0018 Å
• α: 90°
• β: 100.309 ± 0.004°
• γ: 90°
• Cell volume: 668.7 ± 0.3 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: 0.0724
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes