Information card for entry 2006441

Structure parameters

• Common name: trans-decahydroquinoline
• Chemical name: N-Nitroso-3,3-dimethyl-2-phenyldecahydroquinolin-4-one
• Formula: C17 H22 N2 O2
• Calculated formula: C17 H22 N2 O2
• SMILES: O=C1C([C@H](N([C@H]2CCCC[C@H]12)N=O)c1ccccc1)(C)C.O=C1C([C@@H](N([C@@H]2CCCC[C@@H]12)N=O)c1ccccc1)(C)C
• Title of publication: 3,3-Dimethyl-<i>N</i>-nitroso-2-phenyldecahydroquinolin-4-one
• Authors of publication: A.Thiruvalluvar; V.Parthasarathi; D.Natarajan; N.Bhavani; Mohan Bhadbhade
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1086 - 1088
• a: 7.596 ± 0.002 Å
• b: 22.882 ± 0.011 Å
• c: 9.311 ± 0.002 Å
• α: 90°
• β: 110.18 ± 0.02°
• γ: 90°
• Cell volume: 1519 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.1681
• Weighted residual factors for significantly intense reflections: 0.1588
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No