Information card for entry 2022671

Structure parameters

• Chemical name: Hydronium (1<i>R</i>,4<i>S</i>)-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate
• Formula: C10 H18 O5 S
• Calculated formula: C10 H18 O5 S
• SMILES: S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](C1(C)C)CC2.[OH3+]
• Title of publication: Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid
• Authors of publication: Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 10
• a: 6.72595 ± 0.00005 Å
• b: 11.23408 ± 0.00008 Å
• c: 15.51954 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1172.65 ± 0.015 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0222
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes