Information card for entry 7100163

Structure parameters

• Formula: C22.25 H22 Cl F2 N2 O6
• Calculated formula: C22.25 H22 Cl F2 N2 O6
• 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: 4.9826 ± 0.0019 Å
• b: 22.066 ± 0.01 Å
• c: 24.319 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2673.7 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No