Information card for entry 2200698

Structure parameters

• Formula: C12 H15 N O3 S2
• Calculated formula: C12 H15 N O3 S2
• SMILES: S1(N(S(=O)(=O)c2ccc(cc2)C)[C@@H](C=CC1)C)=O
• Title of publication: <i>exo</i>-3,6-Dihydro-3-methyl-2-(toluene-4-sulfonyl)-1λ^4^,2-thiazine 1-oxide
• Authors of publication: Hansen, Lars Kr.; Bayer, Annette; Gautun, Odd R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1109 - o1110
• a: 8.277 ± 0.002 Å
• b: 9.723 ± 0.002 Å
• c: 16.5 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1327.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes