Information card for entry 4024334

Structure parameters

• Formula: C16 H24 N O3
• Calculated formula: C16 H24 N O3
• SMILES: O1C(=O)[C@@H](N=C2[C@H]1[C@H]1CC[C@@]2(C1(C)C)C)[C@@H](O)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: 7.157 ± 0.003 Å
• b: 10.618 ± 0.004 Å
• c: 20.531 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1560.1 ± 1 ų
• Cell temperature: 293.2 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 significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.433
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No