Information card for entry 4132241

Structure parameters

• Formula: C18 H18 N2
• Calculated formula: C18 H18 N2
• SMILES: c12[C@@H](CCn1c1c(cccc1)n2)CCc1ccccc1
• Title of publication: Enantioselective Ni-Al Bimetallic Catalyzed exo-Selective C-H Cyclization of Imidazoles with Alkenes.
• Authors of publication: Wang, Yin-Xia; Qi, Shao-Long; Luan, Yu-Xin; Han, Xing-Wang; Wang, Shan; Chen, Hao; Ye, Mengchun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 16
• Pages of publication: 5360 - 5364
• a: 8.57436 ± 0.00015 Å
• b: 6.43605 ± 0.00018 Å
• c: 13.5714 ± 0.0003 Å
• α: 90°
• β: 97.6815 ± 0.0017°
• γ: 90°
• Cell volume: 742.22 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No