Information card for entry 4126329

Structure parameters

• Formula: C26 H23 N2 O
• Calculated formula: C27 H23 N O
• SMILES: O=N([C@@H]1C[C@]1(c1ccc2ccccc2c1)C)=C(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric Nitrone Synthesis via Ligand-Enabled Copper-Catalyzed Cope-Type Hydroamination of Cyclopropene with Oxime.
• Authors of publication: Li, Zhanyu; Zhao, Jinbo; Sun, Baozhen; Zhou, Tingting; Liu, Mingzhu; Liu, Shuang; Zhang, Mengru; Zhang, Qian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 8.7558 ± 0.0003 Å
• b: 11.1462 ± 0.0004 Å
• c: 21.2016 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2069.15 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 292.7 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No