Information card for entry 8104569

Structure parameters

• Chemical name: methyl (E)-3-(4-acetoxyphenyl)acrylate
• Formula: C12 H12 O4
• Calculated formula: C12 H12 O4
• Title of publication: Crystal structure of methyl (E)-3-(4-acetoxyphenyl)acrylate, C12H12O4
• Authors of publication: Gu, Jia; Song, Xiu-Ying; Wang, Gui-Shu; Peng, Jun; Nie, Xu-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1215 - 1217
• a: 16.071 ± 0.006 Å
• b: 9.424 ± 0.004 Å
• c: 7.64 ± 0.003 Å
• α: 90°
• β: 101.861 ± 0.005°
• γ: 90°
• Cell volume: 1132.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No