Information card for entry 1544839

Structure parameters

• Formula: C36 H42 N Na O9 S
• Calculated formula: C36 H42 N Na O9 S
• SMILES: S(=O)([O-])(=NC1c2ccccc2Oc2ccccc12)c1ccc(OC)cc1.[Na]1234[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5.c1ccccc1
• 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: 9.6525 ± 0.0004 Å
• b: 10.0128 ± 0.0005 Å
• c: 20.198 ± 0.001 Å
• α: 94.526 ± 0.004°
• β: 92.174 ± 0.004°
• γ: 117.703 ± 0.005°
• Cell volume: 1716.78 ± 0.16 ų
• Cell temperature: 293.26 ± 0.1 K
• Ambient diffraction temperature: 293.26 ± 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: 0.1019
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No