Information card for entry 4022947

Structure parameters

• Formula: C22 H25 N O2
• Calculated formula: C22 H25 N O2
• SMILES: C1[C@@H](c2ccccc2)N2C(=O)[C@](CC[C@@H]2O1)(CC)Cc1ccccc1
• Title of publication: Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams
• Authors of publication: Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4431 - 4439
• a: 6.5457 ± 0.0013 Å
• b: 13.684 ± 0.002 Å
• c: 20.332 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1821.2 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No