Information card for entry 2238675

Structure parameters

• Common name: methyl 4-(benzyloxy)-3-methoxybenzoate
• Chemical name: Methyl 4-(benzyloxy)-3-methoxybenzoate
• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• SMILES: COC(=O)c1ccc(c(c1)OC)OCc1ccccc1
• Title of publication: Methyl 4-(benzyloxy)-3-methoxybenzoate
• Authors of publication: Wang, Kai; Ju, ChaoFan; Xiao, Jian; Chen, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1562
• a: 5.2466 ± 0.0007 Å
• b: 17.973 ± 0.002 Å
• c: 14.8785 ± 0.0018 Å
• α: 90°
• β: 94.018 ± 0.003°
• γ: 90°
• Cell volume: 1399.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No