Information card for entry 1548723

Structure parameters

• Chemical name: 1
• Formula: C26 H49 O3 Sc Si2
• Calculated formula: C26 H49 O3 Sc Si2
• SMILES: [Sc]1234(C[Si](C)(C)C)([cH]5[cH]2[c]23[C@H]([C@H]3OC(O[C@@H]3[C@@H]([c]24[cH]15)C)(C)C)C)([O]1CCCC1)C[Si](C)(C)C
• Title of publication: Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents
• Authors of publication: Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 984
• a: 8.2245 ± 0.0016 Å
• b: 17.776 ± 0.004 Å
• c: 10.845 ± 0.002 Å
• α: 90°
• β: 109.79 ± 0.03°
• γ: 90°
• Cell volume: 1491.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1156
• 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: Yes
• Has Fobs: No