Information card for entry 4024292

Structure parameters

• Formula: C17 H26 N2 O4
• Calculated formula: C17 H26 N2 O4
• SMILES: O1[C@H]2[C@]3(C)CC[C@@H](C3(C)C)[C@]32N[C@H]([C@H]([C@@H]3N(=O)=O)C(C)C)C1=O
• Title of publication: Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers
• Authors of publication: Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1252 - 1258
• a: 6.9085 ± 0.0009 Å
• b: 10.4624 ± 0.0014 Å
• c: 23.366 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1688.9 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No