Information card for entry 1508619

Structure parameters

• Formula: C20 H23 N O
• Calculated formula: C20 H23 N O
• SMILES: O1CCN(/C(=C(c2ccccc2)\CC)c2ccccc2)CC1
• Title of publication: Copper-catalyzed electrophilic amination of alkenylzirconocenes with O-benzoylhydroxylamines: an efficient method for synthesis of enamines.
• Authors of publication: Yan, Xiaoyu; Chen, Chao; Zhou, Yiqing; Xi, Chanjuan
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4750 - 4753
• a: 9.925 ± 0.003 Å
• b: 12.634 ± 0.002 Å
• c: 13.644 ± 0.003 Å
• α: 90°
• β: 98.63 ± 0.02°
• γ: 90°
• Cell volume: 1691.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1087
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No