Information card for entry 4349588

Structure parameters

• Chemical name: cyq1
• Formula: C32 H37 K O8
• Calculated formula: C32 H37 K O8
• SMILES: c1([O-])ccc2ccccc2c1c1c(ccc2ccccc12)O.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates
• Authors of publication: Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 261
• a: 8.1133 ± 0.0004 Å
• b: 18.7948 ± 0.001 Å
• c: 19.0856 ± 0.001 Å
• α: 90°
• β: 98.877 ± 0.005°
• γ: 90°
• Cell volume: 2875.5 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No