Information card for entry 4107268

Structure parameters

• Formula: C21 H26 N2 O7
• Calculated formula: C21 H26 N2 O7
• SMILES: O=C(OC)[C@H](NC(=O)[C@@]12OC(=O)[C@@](C1(C)C)(CC2)C)[C@H](CN(=O)=O)c1ccccc1
• Title of publication: Stereodivergency in Catalytic Asymmetric Conjugate Addition Reactions of Glycine (Ket)imines
• Authors of publication: Hun Young Kim; Jian-Yuan Li; Sungkyung Kim; Kyungsoo Oh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20750 - 20753
• a: 6.965 ± 0.003 Å
• b: 11.584 ± 0.004 Å
• c: 26.372 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2127.8 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0448
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No