Information card for entry 2010251

Structure parameters

• Formula: C18 H20 O4 S
• Calculated formula: C18 H20 O4 S
• Title of publication: (3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>,S<i>S</i>)-3-Ethoxy-3a,4,7,7a-tetrahydro-4,7-methano-7a-<i>p</i>-tolysulfinyl-1(3<i>H</i>)-isobenzofuranone
• Authors of publication: Soriano-Garcia, M.; Rodriguez-Romero, A.; Villena, R.; Yuste, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2093 - 2094
• a: 9.829 ± 0.003 Å
• b: 11.632 ± 0.004 Å
• c: 14.482 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1655.7 ± 0.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 2.49
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No