Information card for entry 7112561

Structure parameters

• Formula: C18 H28 K N O2
• Calculated formula: C18 H28 K N O2
• Title of publication: Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.
• Authors of publication: Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 86
• Pages of publication: 10612 - 10614
• a: 9.5449 ± 0.0006 Å
• b: 9.8534 ± 0.0005 Å
• c: 11.6027 ± 0.0006 Å
• α: 81.047 ± 0.005°
• β: 74.192 ± 0.005°
• γ: 61.176 ± 0.006°
• Cell volume: 919.49 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No