Information card for entry 2241386

Structure parameters

• Chemical name: 4-(4-Methoxyphenoxy)benzaldehyde
• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• SMILES: O=Cc1ccc(Oc2ccc(OC)cc2)cc1
• Title of publication: Crystal structure of 4-(4-methoxyphenoxy)benzaldehyde
• Authors of publication: Schäfer, Andreas; Iovkova-Berends, Ljuba; Gilke, Stefan; Kossmann, Paul; Preut, Hans; Hiersemann, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1021
• a: 12.1297 ± 0.0007 Å
• b: 7.6581 ± 0.0004 Å
• c: 12.3577 ± 0.0007 Å
• α: 90°
• β: 103.769 ± 0.006°
• γ: 90°
• Cell volume: 1114.93 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes