Information card for entry 4111277

Structure parameters

• Formula: C14 H22 N O4
• Calculated formula: C14 H27 N O4
• SMILES: O(C(C)(C)C)C(=O)N[C@@H](C(C)C)[C@@H](O)[C@H](C)C(=O)C
• Title of publication: Asymmetric Induction in Hydrogen-Mediated Reductive Aldol Additions to α-Amino Aldehydes Catalyzed by Rhodium: Selective Formation of syn-Stereotriads Directed by Intramolecular Hydrogen-Bonding
• Authors of publication: Cheol-Kyu Jung; Michael J. Krische
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 17051 - 17056
• a: 10.472 ± 0.0004 Å
• b: 15.185 ± 0.0006 Å
• c: 10.524 ± 0.0004 Å
• α: 90°
• β: 94.257 ± 0.0019°
• γ: 90°
• Cell volume: 1668.88 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No