Information card for entry 7152090

Structure parameters

• Chemical name: (R)-2-[(R)-1-hydroxy-3-phenylpropyl]piperidine
• Formula: C14 H21 N O
• Calculated formula: C14 H21 N O
• SMILES: O[C@@H]([C@@H]1NCCCC1)CCc1ccccc1
• Title of publication: Switch in regioselectivity of epoxide ring-opening by changing the organometallic reagent.
• Authors of publication: Gálvez, José A; Díaz de Villegas, María D; Badorrey, Ramón; López-Ram-de-Víu, Pilar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 8155 - 8162
• a: 6.3355 ± 0.0006 Å
• b: 7.439 ± 0.0008 Å
• c: 26.291 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1239.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0944
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No