Information card for entry 1545203

Structure parameters

• Formula: C30 H36 N Na O8 S
• Calculated formula: C30 H36 N Na O8 S
• SMILES: S1(=O)(=[N]([Na]2345(O1)[O]6CC[O]2CC[O]3CC[O]4CC[O]5CC6)C1c2ccccc2Oc2ccccc12)c1ccc(cc1)C
• 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: 15.6531 ± 0.0009 Å
• b: 11.2507 ± 0.0009 Å
• c: 17.5258 ± 0.0012 Å
• α: 90°
• β: 108.232 ± 0.007°
• γ: 90°
• Cell volume: 2931.5 ± 0.4 ų
• Cell temperature: 289.97 ± 0.1 K
• Ambient diffraction temperature: 289.97 ± 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: 0.1682
• Residual factor for significantly intense reflections: 0.1572
• Weighted residual factors for significantly intense reflections: 0.3291
• Weighted residual factors for all reflections included in the refinement: 0.3337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No