Information card for entry 1544840

Structure parameters

• Formula: C54.5 H80 N Na O7 S
• Calculated formula: C54.5 H80 N Na O7 S
• SMILES: S(O[Na]1234[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5)(=O)(=Nc1c(cccc1C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• 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: 10.6133 ± 0.0009 Å
• b: 15.1843 ± 0.0017 Å
• c: 17.364 ± 0.0016 Å
• α: 107.939 ± 0.009°
• β: 92.806 ± 0.008°
• γ: 93.558 ± 0.008°
• Cell volume: 2650.3 ± 0.5 ų
• Cell temperature: 294.59 ± 0.1 K
• Ambient diffraction temperature: 294.59 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No