Information card for entry 1542631

Structure parameters

• Formula: C17 H22 N2 O5
• Calculated formula: C17 H22 N2 O5
• SMILES: O=C(N[C@@H]1C(=O)ON([C@@H]1CC)C(=O)OC(C)(C)C)c1ccccc1.O=C(N[C@H]1C(=O)ON([C@H]1CC)C(=O)OC(C)(C)C)c1ccccc1
• Title of publication: Catalytic Asymmetric Synthesis of anti-α,β-Diamino Acid Derivatives.
• Authors of publication: Izumi, Sanae; Kobayashi, Yusuke; Takemoto, Yoshiji
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 696 - 699
• a: 8.5688 ± 0.001 Å
• b: 19.141 ± 0.003 Å
• c: 21.222 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3480.7 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No