Information card for entry 1529430

Structure parameters

• Formula: C36 H41 Na O6
• Calculated formula: C36 H41 Na O6
• SMILES: O(c1c(cc(cc1)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)[Na]1234[O]5CC[O]1CC[O]3CC[O]4CC[O]2CC5
• Title of publication: Simple sodium and potassium phenolates as catalysts for highly isoselective polymerization of rac-lactide
• Authors of publication: Dai, Zhongran; Sun, Yangyang; Xiong, Jiao; Pan, Xiaobo; Tang, Ning; Wu, Jincai
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 515
• a: 18.646 ± 0.002 Å
• b: 12.596 ± 0.0009 Å
• c: 14.6475 ± 0.0012 Å
• α: 90°
• β: 112.453 ± 0.011°
• γ: 90°
• Cell volume: 3179.4 ± 0.5 ų
• Cell temperature: 290.92 ± 0.1 K
• Ambient diffraction temperature: 290.92 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2022
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No