Information card for entry 2007992

Structure parameters

• Formula: C19 H32 O5 S
• Calculated formula: C19 H32 O5 S
• SMILES: S(=O)([C@@]1([C@H](C=C2O[C@@H]3OC(O[C@@H]3[C@H]2C1)(C)C)C)[C@H](O)CCCCC)C
• 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: S. Yonezawa; M. Leblanc; A. Guesdon; C. Alexandre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• 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: 2038.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0392
• Weighted residual factors for significantly intense reflections: 0.108
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No