Information card for entry 7120243

Structure parameters

• Formula: C11.11 H14 N0.22 O0.44 Zr0.22
• Calculated formula: C11.1111 H14 N0.222222 O0.444444 Zr0.222222
• Title of publication: Regioselective addition of C(sp3)‒H bonds of alkyl pyridines to olefins catalysed by cationic zirconium complexes
• Authors of publication: Sun, Qiu; Xie, peipei; Yuan, Dan; Xia, Yuanzhi; Yao, Yingming
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.634 ± 0.003 Å
• b: 20.94 ± 0.004 Å
• c: 28.234 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9243 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No