Information card for entry 4065710

Structure parameters

• Formula: C27 H36 N O Y
• Calculated formula: C27 H36 N O Y
• SMILES: [Y]123456789%10(N([C]1(=[CH]2c1ccccc1)C)C(C)(C)C)([O]1CCCC1)([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]1[cH]3[cH]%10[cH]9[cH]81
• Title of publication: Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes
• Authors of publication: Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2111
• a: 13.126 ± 0.006 Å
• b: 8.896 ± 0.004 Å
• c: 20.839 ± 0.009 Å
• α: 90°
• β: 96.019 ± 0.007°
• γ: 90°
• Cell volume: 2419.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1436
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No