Information card for entry 4024338

Structure parameters

• Formula: C16 H25 N O3
• Calculated formula: C16 H24 N O3
• SMILES: O1[C@@H]2C(=N[C@@H](C1=O)[C@H](O)C(C)C)[C@H]1CC[C@@]2(C1(C)C)C
• Title of publication: Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin
• Authors of publication: Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1627 - 1631
• a: 9.937 ± 0.006 Å
• b: 13.512 ± 0.007 Å
• c: 12.023 ± 0.007 Å
• α: 90°
• β: 100.595 ± 0.009°
• γ: 90°
• Cell volume: 1586.9 ± 0.1 ų
• Cell temperature: 173.2 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 significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No