Information card for entry 2239596

Structure parameters

• Chemical name: Methyl (<i>E</i>)-3-(2-formylphenoxy)acrylate
• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• SMILES: COC(=O)/C=C/Oc1ccccc1C=O
• Title of publication: Methyl (<i>E</i>)-3-(2-formylphenoxy)acrylate
• Authors of publication: Karthikeyan, S.; Sethusankar, K.; Selvakumar, R.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o709
• a: 17.7458 ± 0.0008 Å
• b: 4.0629 ± 0.0002 Å
• c: 14.5745 ± 0.0007 Å
• α: 90°
• β: 107.868 ± 0.003°
• γ: 90°
• Cell volume: 1000.13 ± 0.08 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: 0.0584
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes