Information card for entry 2004971

Structure parameters

• Formula: C19 H25 N O2
• Calculated formula: C19 H25 N O2
• SMILES: O=C1[C@@H]([C@H](N([C@H]2CCCC[C@H]12)C(=O)C)c1ccccc1)CC.O=C1[C@H]([C@@H](N([C@@H]2CCCC[C@@H]12)C(=O)C)c1ccccc1)CC
• Title of publication: <i>N</i>-Acetyl-3-ethyl-2-phenyldecahydroquinolin-4-one, C~19~H~25~NO~2~
• Authors of publication: Thiruvalluvar, A.; Parthasarathi, V.; Natarajan, D.; Bhavani, N.; Bhadbhade, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1563 - 1565
• a: 10.683 ± 0.002 Å
• b: 16.996 ± 0.005 Å
• c: 18.77 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3408 ± 1.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.57
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No