Information card for entry 1544842

Structure parameters

• Formula: C29 H32 N2 Na O10 S
• Calculated formula: C29 H32 N2 Na O10 S
• SMILES: S1(=O)(=[O][Na]2345([O]6CC[O]4CC[O]3CC[O]5CC[O]2CC6)N1C1c2c(Oc3c1cccc3)cccc2)c1ccc(N(=O)=O)cc1
• Title of publication: Suppressing Cyclic Polymerization for Isoselective Synthesis of High-Molecular-Weight Linear Polylactide Catalyzed by Sodium/Potassium Sulfonamidate Complexes
• Authors of publication: Chen, Changjuan; Cui, Yaqin; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 83
• a: 10.7318 ± 0.0008 Å
• b: 16.846 ± 0.0015 Å
• c: 16.1244 ± 0.0013 Å
• α: 90°
• β: 91.924 ± 0.007°
• γ: 90°
• Cell volume: 2913.5 ± 0.4 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0777
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No