Information card for entry 2200511

Structure parameters

• Common name: 7-β-bromo-(-)-camphorsulfonimide
• Chemical name: [3aS-(3aα,6α,7β)]-7-bromo-4,5,6,7-tetrahydro-8,8-dimethyl- 3H-3a,6-methano-2,1-benzisothiazole-2,2-dioxide
• Formula: C10 H14 Br N O2 S
• Calculated formula: C10 H14 Br N O2 S
• SMILES: Br[C@@H]1C2=NS(=O)(=O)C[C@@]32CC[C@H]1C3(C)C
• Title of publication: (7-<i>endo</i>-Bromocamphorylsulfonyl)imine
• Authors of publication: Fronczek, Frank R.; Garcia, J. Gabriel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o886 - o887
• a: 7.2643 ± 0.0004 Å
• b: 10.6393 ± 0.0006 Å
• c: 15.6331 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1208.24 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• 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: 0.061
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No