Information card for entry 7100164

Structure parameters

• Formula: C22 H22 F2 N2 O6
• Calculated formula: C22 H22 F2 N2 O6
• SMILES: C([C@H](NC(=O)[C@@H](F)[C@@H](F)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O)c1ccccc1
• Title of publication: The C-F bond as a tool for influencing peptide conformation
• Authors of publication: D. O'Hagan; Martin Schuler; A. Slawin
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.121 ± 0.002 Å
• b: 6.1323 ± 0.001 Å
• c: 30.671 ± 0.006 Å
• α: 90°
• β: 90.179 ± 0.006°
• γ: 90°
• Cell volume: 2091.8 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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