Information card for entry 2211439

Structure parameters

• Chemical name: 4-4-(2,4-Dichlorobenzyloxy)-3-ethoxybenzaldehyde
• Formula: C16 H14 Cl2 O3
• Calculated formula: C16 H14 Cl2 O3
• SMILES: Clc1ccc(COc2c(OCC)cc(cc2)C=O)c(Cl)c1
• Title of publication: 4-(2,4-Dichlorobenzyloxy)-3-ethoxybenzaldehyde
• Authors of publication: Zhen, Xiao-Li; Han, Jian-Rong; Wang, Qun-Tao; Tian, Xia; Liu, Shou-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5794 - o5795
• a: 19.849 ± 0.003 Å
• b: 19.849 ± 0.003 Å
• c: 10.34 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3528 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes