Information card for entry 4134106

Structure parameters

• Formula: C23 H24 N2
• Calculated formula: C23 H24 N2
• SMILES: n12c(c3ccccc3)c(nc1[C@]1([C@@H](CC2)CCC1)C)c1ccccc1.n1c(c2ccccc2)c(n2c1[C@@]1([C@H](CC2)CCC1)C)c1ccccc1
• Title of publication: Construction of All-Carbon Quaternary Stereocenters by Scandium-Catalyzed Intramolecular C-H Alkylation of Imidazoles with 1,1-Disubstituted Alkenes.
• Authors of publication: Lou, Shao-Jie; Mo, Zhenbo; Nishiura, Masayoshi; Hou, Zhaomin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 3
• Pages of publication: 1200 - 1205
• a: 9.9079 ± 0.0014 Å
• b: 17.101 ± 0.003 Å
• c: 21.218 ± 0.004 Å
• α: 90°
• β: 97.44 ± 0.005°
• γ: 90°
• Cell volume: 3564.8 ± 1 ų
• Cell temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2525
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1796
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No