Information card for entry 2000013

Structure parameters

• Formula: C16 H17 N O3 S
• Calculated formula: C16 H17 N O3 S
• Title of publication: The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,SR)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide
• Authors of publication: Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 94
• a: 8.5143 ± 0.0007 Å
• b: 11.8171 ± 0.0006 Å
• c: 14.752 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1484.26 ų
• 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 significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0419
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No