Information card for entry 1506782

Structure parameters

• Formula: C15 H21 N O3
• Calculated formula: C15 H21 N O3
• SMILES: C1(=O)N(c2ccc(cc2)OC)CC[C@](O)(C)[C@H]1CC.C1(=O)N(c2ccc(cc2)OC)CC[C@@](O)(C)[C@@H]1CC
• Title of publication: Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.
• Authors of publication: Lam, Hon Wai; Murray, Gordon J.; Firth, James D.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 25
• Pages of publication: 5743 - 5746
• a: 20.3081 ± 0.0008 Å
• b: 6.8444 ± 0.0003 Å
• c: 10.4444 ± 0.0005 Å
• α: 90°
• β: 98.961 ± 0.003°
• γ: 90°
• Cell volume: 1434.02 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No