Information card for entry 1505571

Structure parameters

• Formula: C13 H25 N O3
• Calculated formula: C13 H25 N O3
• SMILES: C1COCCN1C(=O)[C@H](C)[C@](O)(C)CC(C)C.C1COCCN1C(=O)[C@@H](C)[C@@](O)(C)CC(C)C
• Title of publication: Diastereoselective intermolecular cobalt-catalyzed reductive aldol reactions of alpha,beta-unsaturated amides with ketones.
• Authors of publication: Lumby, Ralph J. R.; Joensuu, Pekka M.; Lam, Hon Wai
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 4367 - 4370
• a: 6.0237 ± 0.0001 Å
• b: 10.011 ± 0.0002 Å
• c: 22.8384 ± 0.0005 Å
• α: 90°
• β: 92.22 ± 0.001°
• γ: 90°
• Cell volume: 1376.2 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No