Information card for entry 1557171

Structure parameters

• Formula: C37 H53 F N2 O2 Zn
• Calculated formula: C37 H53 F N2 O2 Zn
• Title of publication: Weak Lewis Pairs as Catalysts for Highly Isoselective Ring-Opening Polymerization of Epimerically Labile rac-O-Carboxyanhydride of Mandelic Acid
• Authors of publication: Jiang, Jinxing; Cui, Yaqin; Lu, Yaguang; Zhang, Bin; Pan, Xiaobo; Wu, Jincai
• Journal of publication: Macromolecules
• Year of publication: 2020
• a: 22.1881 ± 0.0003 Å
• b: 11.5778 ± 0.0001 Å
• c: 29.7479 ± 0.0004 Å
• α: 90°
• β: 106.38 ± 0.001°
• γ: 90°
• Cell volume: 7331.75 ± 0.16 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No