Information card for entry 4100386

Structure parameters

• Formula: C12 H16 F3 N O
• Calculated formula: C12 H16 F3 N O
• SMILES: FC(F)(F)[C@H](O)c1c(cccc1)[C@@H](N(C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.8395 ± 0.0011 Å
• b: 10.6587 ± 0.0015 Å
• c: 13.4582 ± 0.0019 Å
• α: 90°
• β: 105.205 ± 0.002°
• γ: 90°
• Cell volume: 1223.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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