Information card for entry 2017911

Structure parameters

• Chemical name: (6aS,9S,10R,10aR)-11,11-dimethyl-5,5-dioxo-2,3,7,8,9,10-hexahydro- 6<i>H</i>-6a,9-methanooxazolo[2,3-<i>i</i>][2,1]benziisothiazol-10-ol
• Formula: C12 H19 N O4 S
• Calculated formula: C12 H19 N O4 S
• SMILES: O1CCN2S(=O)(=O)C[C@]34CC[C@H]([C@@H](O)[C@@]123)C4(C)C
• Title of publication: Four novel spirooxazacamphorsultam derivatives
• Authors of publication: Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o600 - o605
• a: 7.3091 ± 0.0008 Å
• b: 10.9033 ± 0.0012 Å
• c: 15.211 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1212.2 ± 0.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes