Information card for entry 2004698

Structure parameters

• Formula: C14 H19 N O S
• Calculated formula: C14 H19 N O S
• Title of publication: 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane 3-Oxide
• Authors of publication: Hossain, M. B.; van der Helm, D.; Sangiah, S.; Berlin, K. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 995 - 998
• a: 13.084 ± 0.003 Å
• b: 6.527 ± 0.001 Å
• c: 15.397 ± 0.003 Å
• α: 90°
• β: 104.66 ± 0.02°
• γ: 90°
• Cell volume: 1272.1 ± 0.4 ų
• Cell temperature: 138 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No