Information card for entry 4020900

Structure parameters

• Formula: C21 H30 F2 N2 O3
• Calculated formula: C21 H30 F2 N2 O3
• SMILES: FC(F)([C@@H](NC(=O)OC(C)(C)C)C(C)C)/C=C/C(=O)N[C@H](C)c1ccccc1
• Title of publication: SmI~2~-Mediated Reduction of γ,γ-Difluoro-α,β-enoates with Application to the Synthesis of Functionalized (Z)-Fluoroalkene-Type Dipeptide Isosteres
• Authors of publication: Akira Otaka; Junko Watanabe; Akira Yukimasa; Yoshikazu Sasaki; Hideaki Watanabe; Takayoshi Kinoshita; Shinya Oishi; Hirokazu Tamamura; Nobutaka Fujii
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1634 - 1645
• a: 16.285 ± 0.002 Å
• b: 26.787 ± 0.004 Å
• c: 5.125 ± 0.0006 Å
• α: 90°
• β: 98.05 ± 0.01°
• γ: 90°
• Cell volume: 2213.6 ± 0.5 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No