Information card for entry 7156607

Structure parameters

• Formula: C15 H17 N O
• Calculated formula: C15 H17 N O
• Title of publication: Highly selective AlCl₃ initiated intramolecular α-alkylation of α,β-unsaturated lactams and lactones.
• Authors of publication: Xu, Dawen; Kaiser, Felix; Li, Han; Reich, Robert M.; Guo, Hao; Kühn, Fritz E
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 49 - 52
• a: 7.1064 ± 0.0012 Å
• b: 10.3163 ± 0.0018 Å
• c: 15.973 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1171 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0291
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No