Information card for entry 7039295

Structure parameters

• Formula: C50 H66 K2 O4
• Calculated formula: C50 H66 K2 O4
• Title of publication: Structures of potassium calix[4]arene crown ether inclusion complexes and application in polymerization of rac-lactide.
• Authors of publication: Li, Yingguo; Zhao, Hongwei; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9636 - 9645
• a: 12.2579 ± 0.0005 Å
• b: 17.9504 ± 0.0009 Å
• c: 21.1486 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4653.4 ± 0.3 ų
• Cell temperature: 220.6 ± 0.1 K
• Ambient diffraction temperature: 220.6 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1483
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No