Information card for entry 1512021

Structure parameters

• Formula: C76 H128 N6 O4 Si4 Tm2
• Calculated formula: C76 H128 N6 O4 Si4 Tm2
• SMILES: C([Si](C)(C)C)[Tm]1234[N]5[C@H](COC=5c5ccccc5N1c1ccccc1C(C[Si](C)(C)C)=[N]2[C@H](C[O]3[Tm]123(C[Si](C)(C)C)[N]5[C@H](COC=5c5ccccc5N1c1ccccc1C(C[Si](C)(C)C)=[N]2[C@H](C[O]43)C(C)C)C(C)C)C(C)C)C(C)C.CCCCCC.CCCCCC
• Title of publication: Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand
• Authors of publication: Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang
• Journal of publication: Macromolecules
• Year of publication: 2013
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 3257
• a: 13.834 ± 0.002 Å
• b: 15.388 ± 0.002 Å
• c: 39.08 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8319.3 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1598
• 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