Information card for entry 2237155

Structure parameters

• Chemical name: 4-Methoxy-3-(methoxymethyl)benzaldehyde
• Formula: C10 H12 O3
• Calculated formula: C10 H12 O3
• SMILES: O(c1c(cc(cc1)C=O)COC)C
• Title of publication: 4-Methoxy-3-(methoxymethyl)benzaldehyde
• Authors of publication: Zhang, Jing-Chao; Sun, Jun; Zhang, Juan; Liu, Guang-Lin; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o112
• a: 7.81 ± 0.0016 Å
• b: 8.397 ± 0.0017 Å
• c: 14.51 ± 0.003 Å
• α: 90°
• β: 98.01 ± 0.03°
• γ: 90°
• Cell volume: 942.3 ± 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: 0.1335
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes