Information card for entry 2220048

Structure parameters

• Chemical name: 3-Methoxy-4-(4-nitrobenzyloxy)benzaldehyde
• Formula: C15 H13 N O5
• Calculated formula: C15 H13 N O5
• SMILES: N(=O)(=O)c1ccc(COc2c(OC)cc(cc2)C=O)cc1
• Title of publication: 3-Methoxy-4-(4-nitrobenzyloxy)benzaldehyde
• Authors of publication: Li, Mei; Chen, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2291
• a: 13.743 ± 0.003 Å
• b: 12.526 ± 0.003 Å
• c: 16.384 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2820.4 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes