Information card for entry 2004430

Structure parameters

• Formula: C22 H22 F3 N O
• Calculated formula: C22 H22 F3 N O
• SMILES: O=C1C[C@@H](c2ccccc2)N([C@H]2[C@@H]1CCCC2)c1ccc(cc1)C(F)(F)F
• Title of publication: Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one
• Authors of publication: Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 207 - 210
• a: 7.15 ± 0.001 Å
• b: 12.214 ± 0.002 Å
• c: 10.944 ± 0.001 Å
• α: 90°
• β: 101.2 ± 0.01°
• γ: 90°
• Cell volume: 937.5 ± 0.2 ų
• Cell temperature: 294 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
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No