Information card for entry 4512930

Structure parameters

• Formula: C10 H17 N O3
• Calculated formula: C10 H17 N O3
• SMILES: C1(=O)NC[C@H]([C@@H]1C(=O)OC)CC(C)C
• Title of publication: Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes
• Authors of publication: Bae, Han Yong; Song, Choong Eui
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 3613
• a: 9.8502 ± 0.0008 Å
• b: 13.6853 ± 0.0011 Å
• c: 16.4912 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2223.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0985
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No