Information card for entry 4024335

Structure parameters

• Formula: C19 H29 N O3
• Calculated formula: C19 H29 N O3
• SMILES: O=C1O[C@@H]2[C@H]3CC[C@@](C2=N[C@H]1[C@@H](O)C1CCCCC1)(C3(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: 7.2075 ± 0.0008 Å
• b: 10.4013 ± 0.0012 Å
• c: 12.3538 ± 0.0014 Å
• α: 90°
• β: 98.287 ± 0.002°
• γ: 90°
• Cell volume: 916.46 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No