Information card for entry 8105561

Structure parameters

• Formula: C16 H24 N2 O4
• Calculated formula: C16 H24 N2 O4
• SMILES: O=C(NCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)COC
• Title of publication: Crystal structure of tert-butyl (R)-(1-(benzylamino)-3-methoxy-1-oxopropan-2-yl)carbamate, C16H24N2O4
• Authors of publication: Sun, Wei; Zhu, Zhi-Ling; Zuo, Li-Min; Zhao, Ting; Zhu, Ming-Hui; Shan, Guang-Zhi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 119 - 120
• a: 10.7872 ± 0.0002 Å
• b: 5.02626 ± 0.00011 Å
• c: 15.5479 ± 0.0003 Å
• α: 90°
• β: 94.2278 ± 0.0017°
• γ: 90°
• Cell volume: 840.7 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No