Information card for entry 2235745

Structure parameters

• Chemical name: (<i>R</i>)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one
• Formula: C17 H25 N O2
• Calculated formula: C17 H25 N O2
• SMILES: OC[C@H](N1CCCC(C1=O)(CC)CC)c1ccccc1
• Title of publication: (<i>R</i>)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one
• Authors of publication: Romero, Oscar; Ramírez, Johana; Terán, Joel L.; Flores-Alamo, Marcos; Juárez, Jorge R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2356
• a: 7.538 ± 0.0003 Å
• b: 12.6705 ± 0.0006 Å
• c: 7.9255 ± 0.0004 Å
• α: 90°
• β: 91.776 ± 0.004°
• γ: 90°
• Cell volume: 756.6 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes