Information card for entry 2232675

Structure parameters

• Chemical name: Ethyl 4-acetamido-3-acetoxy-2-benzyl-3-methylbutanoate
• Formula: C18 H25 N O5
• Calculated formula: C18 H25 N O5
• SMILES: CCOC(=O)[C@@H]([C@](OC(=O)C)(CNC(=O)C)C)Cc1ccccc1.CCOC(=O)[C@H]([C@@](OC(=O)C)(CNC(=O)C)C)Cc1ccccc1
• Title of publication: Ethyl 4-acetamido-3-acetoxy-2-benzyl-3-methylbutanoate
• Authors of publication: Wang, Guang Liang; Zhang, Ji Mei; Zhang, Xin; Xu, Hao; Duan, Gui Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3418
• a: 9.7995 ± 0.0018 Å
• b: 10.034 ± 0.0019 Å
• c: 10.481 ± 0.002 Å
• α: 100.571 ± 0.003°
• β: 105.35 ± 0.003°
• γ: 107.957 ± 0.003°
• Cell volume: 905.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes