Information card for entry 7058116

Structure parameters

• Chemical name: bis(2-hydroxyethyl)terephthalate
• Formula: C12 H14 O6
• Calculated formula: C12 H14 O6
• Title of publication: Comparing conventional and microwave-assisted heating in PET degradation mediated by imidazolium-based halometallate complexes
• Authors of publication: Scé, Fabio; Cano, Israel; Martin, Carmen; Beobide, Garikoitz; Castillo, Óscar; de Pedro, Imanol
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3476
• a: 8.2252 ± 0.0003 Å
• b: 9.3639 ± 0.0009 Å
• c: 16.5008 ± 0.0012 Å
• α: 87.306 ± 0.007°
• β: 84.16 ± 0.005°
• γ: 80.338 ± 0.006°
• Cell volume: 1245.78 ± 0.16 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0968
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No