Information card for entry 4024340

Structure parameters

• Formula: C19 H21 F N O3
• Calculated formula: C19 H21 F N O3
• SMILES: Fc1c([C@H](O)[C@H]2N=C3[C@@H](OC2=O)[C@@]2(CC[C@H]3C2(C)C)C)cccc1
• 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: 10.222 ± 0.003 Å
• b: 13.002 ± 0.004 Å
• c: 38.53 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5120.4 ± 0.2 ų
• Cell temperature: 173.2 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 significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No