Information card for entry 4081089

Structure parameters

• Formula: C40 H36 N2
• Calculated formula: C40 H36 N2
• SMILES: c1cc2ccccc2c(/N=C(/C(=N/c2c3c(ccc2[C@H](c2ccccc2)C)cccc3)C)C)c1[C@H](C)c1ccccc1.c1cc2ccccc2c(/N=C(/C(=N/c2c3c(ccc2[C@@H](c2ccccc2)C)cccc3)C)C)c1[C@@H](C)c1ccccc1
• 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: 18.79 ± 0.03 Å
• b: 21.41 ± 0.03 Å
• c: 7.767 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3125 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No