Information card for entry 1506780

Structure parameters

• Formula: C14 H19 N O3
• Calculated formula: C14 H19 N O3
• SMILES: N1(C(=O)[C@@H](C)[C@](O)(C)CC1)c1ccc(OC)cc1.N1(C(=O)[C@H](C)[C@@](O)(C)CC1)c1ccc(OC)cc1
• 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: 6.3947 ± 0.0002 Å
• b: 9.4295 ± 0.0002 Å
• c: 21.418 ± 0.0005 Å
• α: 90°
• β: 96.469 ± 0.001°
• γ: 90°
• Cell volume: 1283.26 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0664
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No