Information card for entry 2222039

Structure parameters

• Common name: 4-(Hexyloxy)-3-methoxybenzaldehyde
• Chemical name: 4-Hexyloxy-3-methoxybenzaldehyde
• Formula: C14 H20 O3
• Calculated formula: C14 H20 O3
• SMILES: CCCCCCOc1ccc(cc1OC)C=O
• Title of publication: 4-Hexyloxy-3-methoxybenzaldehyde
• Authors of publication: Abbas, Asghar; Khawar Rauf, M.; Bolte, Michael; Hasan, Aurangzeb
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1281
• a: 9.2788 ± 0.0005 Å
• b: 9.3894 ± 0.0006 Å
• c: 15.8501 ± 0.0009 Å
• α: 88.099 ± 0.005°
• β: 75.065 ± 0.005°
• γ: 80.262 ± 0.005°
• Cell volume: 1314.95 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes