Information card for entry 2007716

Structure parameters

• Common name: 10-bornanesulfonic acid 2-hydroxy-γ-sultone
• Chemical name: endo-10,10-dimethyl-4-oxa-5-thiatricyclo[5.2.1.0^3,7^]decane-S,S-dioxide
• Formula: C10 H16 O3 S
• Calculated formula: C10 H16 O3 S
• SMILES: S1(=O)(=O)O[C@H]2[C@@]3(CC[C@H](C2)C3(C)C)C1.S1(=O)(=O)O[C@@H]2[C@]3(CC[C@@H](C2)C3(C)C)C1
• Title of publication: A Sultone Derived from Racemic Camphene
• Authors of publication: Muir, Kenneth W.; Rodger, Colin S.; Morris, David G.; Ryder, Karl S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1546 - 1548
• a: 10.5933 ± 0.0006 Å
• b: 8.8517 ± 0.0007 Å
• c: 11.3495 ± 0.0006 Å
• α: 90°
• β: 91.606 ± 0.004°
• γ: 90°
• Cell volume: 1063.81 ± 0.12 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No