Information card for entry 1516474

Structure parameters

• Formula: C24 H43 N2 O Si Y
• Calculated formula: C24 H43 N2 O Si Y
• SMILES: [Y]123456([N]7([C@H]8[CH]1=[CH]2C3[C@@H]7CC8)C)([N]1([C@H]2[CH]4=[CH]5C6[C@@H]1CC2)C)([O]1CCCC1)C[Si](C)(C)C
• Title of publication: Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene
• Authors of publication: Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3567
• a: 14.4575 ± 0.0011 Å
• b: 16.6903 ± 0.0013 Å
• c: 10.454 ± 0.0009 Å
• α: 90°
• β: 95.093 ± 0.001°
• γ: 90°
• Cell volume: 2512.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No