Information card for entry 4027340

Structure parameters

• Formula: C17 H27 N O3 S
• Calculated formula: C17 H27 N O3 S
• SMILES: S(=O)(N[C@@H](CCC(=O)OCC)c2ccc(cc2)C)C(C)(C)C
• Title of publication: A Protocol for an Asymmetric Synthesis of γ-Amino Acids
• Authors of publication: Leleti Rajender Reddy; Kapa Prasad; Mahavir Prashad
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 6296 - 6301
• a: 17.699 ± 0.002 Å
• b: 17.699 ± 0.002 Å
• c: 5.8563 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.5 ± 0.3 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.068
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No