Information card for entry 2215785

Structure parameters

• Chemical name: 4-(4-Chlorobenzyloxy)-3-methoxybenzaldehyde
• Formula: C15 H13 Cl O3
• Calculated formula: C15 H13 Cl O3
• SMILES: Clc1ccc(COc2c(OC)cc(cc2)C=O)cc1
• Title of publication: 4-(4-Chlorobenzyloxy)-3-methoxybenzaldehyde
• Authors of publication: Liu, Shou-Xin; Tian, Xia; Zhen, Xiao-Li; Li, Zhen-Chao; Han, Jian-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4481 - o4481
• a: 9.054 ± 0.003 Å
• b: 8.535 ± 0.002 Å
• c: 17.828 ± 0.005 Å
• α: 90°
• β: 90.1 ± 0.02°
• γ: 90°
• Cell volume: 1377.7 ± 0.7 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: 0.1299
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes