Information card for entry 2238097

Structure parameters

• Chemical name: (1<i>R</i>,2<i>S</i>,5<i>R</i>)-(-)-Menthyl (<i>S</i>)-2-(methoxycarbonyl)benzenesulfinate
• Formula: C18 H26 O4 S
• Calculated formula: C18 H26 O4 S
• SMILES: S(O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)(=O)c1c(cccc1)C(=O)OC
• Title of publication: (1<i>R</i>,2<i>S</i>,5<i>R</i>)-(‒)-Menthyl (<i>S</i>)-2-(methoxycarbonyl)benzenesulfinate
• Authors of publication: Altamura, Maria; Guidi, Antonio; Jierry, Loic; Paoli, Paola; Rossi, Patrizia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o731
• a: 9.7918 ± 0.0002 Å
• b: 9.3938 ± 0.0002 Å
• c: 10.6998 ± 0.0002 Å
• α: 90°
• β: 112.176 ± 0.002°
• γ: 90°
• Cell volume: 911.39 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes