Information card for entry 1505569

Structure parameters

• Formula: C14 H21 N O3
• Calculated formula: C14 H21 N O3
• SMILES: N(C(=O)[C@@H](C)[C@](C)(O)c1ccc(cc1)OC)(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: 6.3792 ± 0.0005 Å
• b: 9.5181 ± 0.0009 Å
• c: 22.6948 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1378 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No