Information card for entry 2000010

Structure parameters

• Formula: C16 H18 O3 S
• Calculated formula: C16 H18 O3 S
• Title of publication: (RS)-4-p-Toluenesulfinylcyclohexa-1,4-dienecarboxylic Acid Ethyl Ester
• Authors of publication: Retoux, R.; Molenkamp, J.; Bonfand, E.; Gosselin, P.; Maignan, C.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2290 - 2292
• a: 27.668 ± 0.007 Å
• b: 5.2391 ± 0.0012 Å
• c: 10.4134 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1509.48 ų
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.042
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No