Information card for entry 4107194

Structure parameters

• Common name: 7
• Formula: C40 H63 N2 O2 Si Y
• Calculated formula: C40 H63 N2 O2 Si Y
• SMILES: [Y]12([O]3CCCC3)([O]3CCCC3)(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[C](=C)=C2[Si](C)(C)C
• Title of publication: End-Functionalized Polymerization of 2-Vinylpyridine through Initial C-H Bond Activation of N-Heteroaromatics and Internal Alkynes by Yttrium Ene-Diamido Complexes
• Authors of publication: Hiroshi Kaneko; Haruki Nagae; Hayato Tsurugi; Kazushi Mashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19626 - 19629
• a: 9.0591 ± 0.0004 Å
• b: 17.7788 ± 0.0009 Å
• c: 24.8997 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4010.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No