Information card for entry 4020187

Structure parameters

• Formula: C12 H22 O7 S
• Calculated formula: C12 H22 O7 S
• SMILES: O1CCOC1CC[C@@H]([C@H]1COC(O1)(C)C)OS(=O)(=O)C
• Title of publication: Asymmetric Synthesis of the Azabicyclic Core of the Stemona Alkaloids
• Authors of publication: Alibés, Ramón; Blanco, Pilar; Casas, Eva; Closa, Montserrat; de March, Pedro; Figueredo, Marta; Font, Josep; Sanfeliu, Elena; Alvarez-Larena, Angel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3157 - 3167
• a: 5.697 ± 0.001 Å
• b: 14.758 ± 0.015 Å
• c: 18.239 ± 0.011 Å
• α: 90°
• β: 98.58 ± 0.05°
• γ: 90°
• Cell volume: 1516.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No