Information card for entry 4111276

Structure parameters

• Formula: C23 H33 N3 O9
• Calculated formula: C23 H33 N3 O9
• SMILES: O=C(C)[C@H](C)[C@@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)[C@@H](N(C)C(=O)OC(C)(C)C)CC(C)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: 25.8069 ± 0.0005 Å
• b: 6.0191 ± 0.0002 Å
• c: 19.571 ± 0.0005 Å
• α: 90°
• β: 120.152 ± 0.002°
• γ: 90°
• Cell volume: 2628.72 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No