Information card for entry 4031717

Structure parameters

• Formula: C17 H23 N2 O3
• Calculated formula: C17 H23 N2 O3
• SMILES: C1(=O)[C@@H](Cc2ccccc2)N[C@@](CO1)(C(=O)NC(C)(C)C)C
• Title of publication: Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.
• Authors of publication: Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 21
• Pages of publication: 10849 - 10865
• a: 6.0165 ± 0.0005 Å
• b: 26.965 ± 0.002 Å
• c: 10.5795 ± 0.0009 Å
• α: 90°
• β: 95.344 ± 0.003°
• γ: 90°
• Cell volume: 1708.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No