Information card for entry 4349589

Structure parameters

• Formula: C33 H39 K O8
• Calculated formula: C33 H39 K O8
• SMILES: [K]12345(Oc6ccc7ccccc7c6c6c7ccccc7ccc6OC)[O]7CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC7
• 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: 10.9339 ± 0.0011 Å
• b: 11.3695 ± 0.0012 Å
• c: 14.208 ± 0.002 Å
• α: 107.602 ± 0.002°
• β: 96.818 ± 0.002°
• γ: 109.876 ± 0.002°
• Cell volume: 1534.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No