Information card for entry 1576551

Structure parameters

• Chemical name: Dimethyl terephthalate (II)
• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• Title of publication: Molecular insight into a disulfonimide-bearing diol: synthesis, characterisation and access to poly(disulfonimide)s
• Authors of publication: Sapegin, Denis A.; Kuznetsov, Danila A.; Penny, Edward J.; Cockcroft, Jeremy K.; Bear, Joseph C.
• Journal of publication: Polymer Chemistry
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 679 - 689
• a: 3.8427 ± 0.0001 Å
• b: 10.7309 ± 0.0004 Å
• c: 11.2638 ± 0.0005 Å
• α: 77.306 ± 0.004°
• β: 84.19 ± 0.003°
• γ: 89.289 ± 0.003°
• Cell volume: 450.77 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0537
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No