Information card for entry 2205510

Structure parameters

• Chemical name: 1-Acetyl-2-phenyl-4-acetoxy-decahydroquinoline
• Formula: C19 H25 N O3
• Calculated formula: C19 H25 N O3
• SMILES: CC(=O)O[C@H]1C[C@H](c2ccccc2)N([C@H]2[C@H]1CCCC2)C(=O)C.CC(=O)O[C@@H]1C[C@@H](c2ccccc2)N([C@@H]2[C@@H]1CCCC2)C(=O)C
• Title of publication: 1-Acetyl-2-phenylperhydroquinolin-4-yl acetate
• Authors of publication: R. Padmavathy; K. Saminathan; D. Natarajan; N. Bhavani; K. Sivakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1109 - o1111
• a: 8.856 ± 0.001 Å
• b: 9.05 ± 0.002 Å
• c: 12.343 ± 0.001 Å
• α: 85.35 ± 0.01°
• β: 87.82 ± 0.01°
• γ: 64.82 ± 0.01°
• Cell volume: 892.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes