Information card for entry 4344765

Structure parameters

• Formula: C38 H49 Na O6
• Calculated formula: C38 H49 Na O6
• SMILES: [Na]1234(Oc5c(cc(cc5c5c6ccccc6cc6ccccc56)C(C)(C)C)C(C)(C)C)[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC5
• Title of publication: Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.
• Authors of publication: Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 136
• a: 11.0496 ± 0.001 Å
• b: 12.0612 ± 0.0012 Å
• c: 14.4233 ± 0.0013 Å
• α: 108.317 ± 0.009°
• β: 96.963 ± 0.007°
• γ: 101.806 ± 0.008°
• Cell volume: 1750.3 ± 0.3 ų
• Cell temperature: 290.92 ± 0.1 K
• Ambient diffraction temperature: 290.92 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No