Information card for entry 7202913

Structure parameters

• Formula: C79 H122 Na2 O7
• Calculated formula: C79 H122 Na2 O7
• SMILES: [Na]1([OH]c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)c2c(O[Na]3([OH]c4c(cc(cc4C(C)(C)C)C(C)(C)C)C(C)c4c([O]13)c(cc(c4)C(C)(C)C)C(C)(C)C)[O]1CCCC1)c(cc(c2)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.c1(ccccc1)C
• Title of publication: Efficient and controlled polymerization of lactide under mild conditions with a sodium-based catalyst
• Authors of publication: Chen, Hsuan-Ying; Zhang, Jubo; Lin, Chu-Chieh; Reibenspies, Joseph H.; Miller, Stephen A.
• Journal of publication: Green Chemistry
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 1038
• a: 16.035 ± 0.005 Å
• b: 19.797 ± 0.005 Å
• c: 24.936 ± 0.005 Å
• α: 90 ± 0.005°
• β: 104.979 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7647 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0806
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No