Information card for entry 4515583

Structure parameters

• Formula: C72 H87 B N3 O2 Y
• Calculated formula: C72 H87 B N3 O2 Y
• Title of publication: Isoprene Regioblock Copolymerization: Switching the Regioselectivity by the in Situ Ancillary Ligand Transmetalation of Active Yttrium Species
• Authors of publication: Yu, Xiaying; You, Qing; Zhou, Xigeng; Zhang, Lixin
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 4465
• a: 12.047 ± 0.005 Å
• b: 17.64 ± 0.007 Å
• c: 32.956 ± 0.013 Å
• α: 90°
• β: 96.116 ± 0.007°
• γ: 90°
• Cell volume: 6964 ± 5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No