Information card for entry 2005706

Structure parameters

• Chemical name: 4,4'-[1,6-Hexanediylbis(oxy)]-bisbenzaldehyde
• Formula: C20 H22 O4
• Calculated formula: C20 H22 O4
• SMILES: O=Cc1ccc(cc1)OCCCCCCOc1ccc(cc1)C=O
• Title of publication: 4,4'-[1,6-Hexanediylbis(oxy)]bisbenzaldehyde
• Authors of publication: Artzner, F.; Albouy, P.-A.; Berruyer, G.; Veber, M.; Mérienne, C.; Robert, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3234 - 3236
• a: 5.268 ± 0.005 Å
• b: 9.826 ± 0.007 Å
• c: 16.572 ± 0.008 Å
• α: 90°
• β: 96.48 ± 0.05°
• γ: 90°
• Cell volume: 852.3 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.03
• Goodness-of-fit parameter for significantly intense reflections: 2.92
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No