Information card for entry 4101103

Structure parameters

• Formula: C27 H26 F3 N O2
• Calculated formula: C27 H26 F3 N O2
• SMILES: [C@@H]1(CC(CN1C(=O)[C@@](OC)(C(F)(F)F)c1ccccc1)(c1ccccc1)c1ccccc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 12.8521 ± 0.0002 Å
• b: 13.4583 ± 0.0002 Å
• c: 13.5177 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2338.12 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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