Information card for entry 2214758

Structure parameters

• Chemical name: 2-Acetyl-4-methylphenyl methacrylate
• Formula: C13 H14 O3
• Calculated formula: C13 H14 O3
• SMILES: Cc1cc(c(cc1)OC(=O)C(=C)C)C(=O)C
• Title of publication: 2-Acetyl-4-methylphenyl methacrylate
• Authors of publication: G. Chakkaravarthi; A. Anthonysamy; V. Manivannan; S. Balasubramanian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3404 - o3404
• a: 8.4619 ± 0.0003 Å
• b: 8.481 ± 0.0004 Å
• c: 8.4929 ± 0.0003 Å
• α: 89.899 ± 0.002°
• β: 85.111 ± 0.003°
• γ: 76.09 ± 0.002°
• Cell volume: 589.36 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes