Information card for entry 2212744

Structure parameters

• Chemical name: Ethyl (E)-4-(2-acetylphenoxy)but-2-enoate
• Formula: C14 H16 O4
• Calculated formula: C14 H16 O4
• SMILES: CC(=O)c1ccccc1OC/C=C/C(=O)OCC
• Title of publication: Ethyl (<i>E</i>)-4-(2-acetylphenoxy)but-2-enoate
• Authors of publication: Williamson, Craig; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1428 - o1429
• a: 23.748 ± 0.0008 Å
• b: 7.2686 ± 0.0003 Å
• c: 15.871 ± 0.0004 Å
• α: 90°
• β: 112.24 ± 0.0013°
• γ: 90°
• Cell volume: 2535.76 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.105
• 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