Information card for entry 2009528

Structure parameters

• Chemical name: (4aR,8R,SR)-4a-Hydroxy-8-(p-tolylsulfinyl)- 2,3,4,4a,5,6,7,8-octahydroquinoline
• Formula: C16 H21 N O2 S
• Calculated formula: C16 H21 N O2 S
• Title of publication: (4a<i>R</i>,8<i>R</i>,S<i>R</i>)-8-(<i>p</i>-Tolylsulfinyl)-2,3,4,4a,5,6,7,8-octahydro-4a-quinolinol
• Authors of publication: Robinson, Paul D.; Hua, Duy H.; Wang, Hui; Chen, Jin Shan; Good, Linda A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 425 - 428
• a: 8.866 ± 0.001 Å
• b: 9.534 ± 0.001 Å
• c: 9.245 ± 0.001 Å
• α: 90°
• β: 92.92 ± 0.01°
• γ: 90°
• Cell volume: 780.45 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21 1
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 1.4
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No