Information card for entry 4081090

Structure parameters

• Formula: C34 H24 N2
• Calculated formula: C34 H24 N2
• SMILES: c1(c(ccc2c1cccc2)C)N=C1C(=Nc2c(ccc3ccccc23)C)c2c3c1cccc3ccc2
• Title of publication: Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature
• Authors of publication: Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3960
• a: 21.644 ± 0.009 Å
• b: 21.644 ± 0.009 Å
• c: 24.538 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11495 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.2828
• Residual factor for significantly intense reflections: 0.154
• Weighted residual factors for significantly intense reflections: 0.3806
• Weighted residual factors for all reflections included in the refinement: 0.4484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No