Information card for entry 4132443

Structure parameters

• Formula: C44 H61 Lu N2 O2 Si
• Calculated formula: C44 H61 Lu N2 O2 Si
• SMILES: [Lu]1([O]2CCCC2)([O]2CCCC2)(N([C@H]([C@@H](N1c1c(cc(cc1C)C)C)c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)C[Si](C)(C)C
• Title of publication: Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.
• Authors of publication: Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7332 - 7342
• a: 14.6844 ± 0.0014 Å
• b: 16.2869 ± 0.0016 Å
• c: 17.6979 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4232.7 ± 0.7 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0251
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No