Information card for entry 2211433

Structure parameters

• Chemical name: 4-(2,4-Dichlorobenzyloxy)-3-methoxybenzaldehyde
• Formula: C15 H12 Cl2 O3
• Calculated formula: C15 H12 Cl2 O3
• SMILES: Clc1c(COc2c(OC)cc(cc2)C=O)ccc(Cl)c1
• Title of publication: 4-(2,4-Dichlorobenzyloxy)-3-methoxybenzaldehyde
• Authors of publication: Liu, Shou-Xin; Han, Jian-Rong; Zhen, Xiao-Li; Tian, Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5643 - o5644
• a: 7.507 ± 0.004 Å
• b: 24.436 ± 0.015 Å
• c: 8.386 ± 0.005 Å
• α: 90°
• β: 109.945 ± 0.009°
• γ: 90°
• Cell volume: 1446.1 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1015
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes