Information card for entry 7249747

Structure parameters

• Formula: C56 H54 N4 O11 S
• Calculated formula: C56 H54 N4 O11 S
• Title of publication: Tandem Diels–Alder reaction overrules entropy: the gate to thermally stable, yet thermally recyclable furan-based polymers
• Authors of publication: Zakharova, Daria V.; Aysin, Rinat R.; Pavlov, Alexander A.; Khanin, Dmirty A.; Platonova, Elena O.; Nelyubina, Yulia V.; Polezhaev, Alexander V.
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 2263 - 2275
• a: 9.8335 ± 0.001 Å
• b: 18.2519 ± 0.0019 Å
• c: 26.581 ± 0.003 Å
• α: 90°
• β: 90.016 ± 0.003°
• γ: 90°
• Cell volume: 4770.8 ± 0.9 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0888
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No