Information card for entry 1552822

Structure parameters

• Formula: C178 H264 Cl8 O26 Y4
• Calculated formula: C178 H264 Cl8 O26 Y4
• SMILES: c12c(cc(cc1C(=[O][Y]1345(O2)(Oc2c(cc(cc2C2=[O]3[Y]367([OH]4[Y]489%10([OH]5[Y]5%11([OH]79)(Oc7c(cc(cc7C(c7cc(cc(c7O)C(C)(C)C)C(C)(C)C)=[O]5)C(C)(C)C)C(C)(C)C)(Oc5c(cc(cc5C(=[O]%10%11)c5c(O8)c(cc(c5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([OH]16)[OH2])(Oc1c(cc(cc1C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)=[O]4)C(C)(C)C)C(C)(C)C)[OH2])(Oc1c(cc(cc1C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)=[O]3)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc21)C(C)(C)C)C(C)(C)C)[OH2])C(C)(C)C)C(C)(C)C)[OH2])c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl.ClCCl.C(Cl)Cl.C(Cl)Cl
• Title of publication: ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide
• Authors of publication: Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 17
• Pages of publication: 6800
• a: 25.8909 ± 0.0004 Å
• b: 25.8909 ± 0.0004 Å
• c: 59.13 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39637 ± 3 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No