Information card for entry 4129039

Structure parameters

• Formula: C10 H15 N O3 S
• Calculated formula: C10 H15 N O3 S
• SMILES: S1C(=O)[C@H]2N(C[C@@H]1C2)C(=O)OC(C)(C)C
• Title of publication: 4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization.
• Authors of publication: Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 12
• Pages of publication: 4928 - 4935
• a: 9.491 ± 0.002 Å
• b: 6.116 ± 0.0008 Å
• c: 9.9296 ± 0.0018 Å
• α: 90°
• β: 101.54 ± 0.02°
• γ: 90°
• Cell volume: 564.73 ± 0.18 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No