Information card for entry 1518191

Structure parameters

• Formula: C75 H105 K O8
• Calculated formula: C75 H105 K O8
• SMILES: [K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)Oc1c(C2(c3c(Oc4c2cc(cc4C(C)(C)C)C(C)(C)C)c(cc(c3)C(C)(C)C)C(C)(C)C)c2ccccc2)cc(cc1C(C)(C)C)C(C)(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 7789
• a: 13.627 ± 0.0006 Å
• b: 20.5145 ± 0.0007 Å
• c: 13.926 ± 0.0006 Å
• α: 90°
• β: 116.816 ± 0.006°
• γ: 90°
• Cell volume: 3474.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No