Information card for entry 2000005

Structure parameters

• Formula: C19 H32 O5 S
• Calculated formula: C19 H32 O5 S
• Title of publication: 1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1,3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol
• Authors of publication: Yonezawa, S.; Leblanc, M.; Guesdon, A.; Alexandre, C.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1986 - 1987
• a: 7.15 ± 0.002 Å
• b: 10.284 ± 0.002 Å
• c: 27.726 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2038.71 ų
• 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: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0392
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No