Information card for entry 7233577

Structure parameters

• Chemical name: diethyl terephthalate
• Formula: C12 H14 O4
• Calculated formula: C12 H14 O4
• Title of publication: Sustainable Room Temperature Conversion of p-Xylene to Terephthalic Acid using Ozone and UV Irradiation
• Authors of publication: Hwang, Kuo Chu; Sagadevan, Arunachalam; Kundu, Pradip
• Journal of publication: Green Chemistry
• Year of publication: 2019
• a: 4.206 ± 0.002 Å
• b: 15.399 ± 0.009 Å
• c: 9.109 ± 0.005 Å
• α: 90°
• β: 92.854 ± 0.01°
• γ: 90°
• Cell volume: 589.2 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No