Information card for entry 1574401

Structure parameters

• Common name: NMes-OO
• Formula: C17 H20 N2 O4 S
• Calculated formula: C17 H20 N2 O4 S
• SMILES: [C@@H]1([C@@H]2OC[C@H](C=C1)O2)N(CC#N)S(=O)(=O)c1c(cc(cc1C)C)C
• Title of publication: Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures
• Authors of publication: Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 8435 - 8442
• a: 8.083 ± 0.0004 Å
• b: 11.2048 ± 0.0006 Å
• c: 18.8269 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1705.12 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No