Information card for entry 2226478

Structure parameters

• Common name: Ammonium [(1<i>S</i>)-(<i>endo</i>,<i>anti</i>)]-(-)-3-bromocamphor-8-sulfonate
• Chemical name: Ammonium [(1<i>S</i>)-(<i>endo</i>,<i>anti</i>)]-(-)-(3-bromo-1,7- dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl)methanesulfonate
• Formula: C10 H18 Br N O4 S
• Calculated formula: C10 H18 Br N O4 S
• SMILES: Br[C@@H]1[C@H]2[C@](CS(=O)(=O)[O-])([C@@](CC2)(C)C1=O)C.[NH4+]
• Title of publication: Ammonium [(1<i>S</i>)-(<i>endo</i>,<i>anti</i>)]-({-})-3-bromocamphor-8-sulfonate
• Authors of publication: Abbasi, Muhammad Athar; Aziz-ur-Rehman; Akkurt, Mehmet; Jahangir, Muhammad; Ng, Seik Weng; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1707 - o1708
• a: 7.2449 ± 0.0002 Å
• b: 7.0049 ± 0.0001 Å
• c: 13.2428 ± 0.0003 Å
• α: 90°
• β: 104.704 ± 0.001°
• γ: 90°
• Cell volume: 650.06 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes