Information card for entry 2005760

Structure parameters

• Formula: C16 H22 N2 O
• Calculated formula: C16 H22 N2 O
• SMILES: N1([C@@H](CC(=N\O)/[C@H]2CCCC[C@H]12)c1ccccc1)C.N1([C@H](CC(=N\O)/[C@@H]2CCCC[C@@H]12)c1ccccc1)C
• Title of publication: 1-Methyl-2-phenyldecahydroquinolin-4-one Oxime
• Authors of publication: Ganesh, V. K.; Velmurugan, D.; Thiruvalluvar, A.; Parthasarathi, V.; Ramasubbu, N.; Natarajan, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3177 - 3179
• a: 7.694 ± 0.0001 Å
• b: 11.135 ± 0.0001 Å
• c: 17.6949 ± 0.0001 Å
• α: 90°
• β: 101.62 ± 0.01°
• γ: 90°
• Cell volume: 1484.9 ± 0.06 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 0.95
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No