Information card for entry 2003711

Structure parameters

• Formula: C19 H30 O5 S
• Calculated formula: C19 H30 O5 S
• Title of publication: An Enantiopure Isobornylsulfinylcyclohexene Derivative, C~19~H~30~O~5~S
• Authors of publication: Adams, H.; Bailey, N. A.; Jones, D. N.; Aversa, M. C.; Bonaccorsi, P.; Giannetto, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1357 - 1359
• a: 6.755 ± 0.005 Å
• b: 7.068 ± 0.007 Å
• c: 40.62 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1939 ± 3 ų
• Cell temperature: 288 K
• Number of distinct elements: 4
• 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: 0.0766
• Weighted residual factors for significantly intense reflections: 0.0773
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No