Information card for entry 4020793

Structure parameters

• Formula: C10 H8 F N O5 S
• Calculated formula: C10 H8 F N O5 S
• SMILES: S(c1ccc(N(=O)=O)cc1)[C@@H](F)[C@H]1OC(=O)OC1.S(c1ccc(N(=O)=O)cc1)[C@H](F)[C@@H]1OC(=O)OC1
• Title of publication: Electrolytic Partial Fluorination of Organic Compounds. 71. Highly Diastereoselective Anodic Fluorination of Sulfides Having Oxygen-Containing Heterocyclic Groups
• Authors of publication: Katsutoshi Suzuki; Toshio Fuchigami
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1276 - 1282
• a: 10.085 ± 0.004 Å
• b: 20.08 ± 0.007 Å
• c: 5.43 ± 0.002 Å
• α: 90°
• β: 90.23 ± 0.02°
• γ: 90°
• Cell volume: 1099.6 ± 0.6 ų
• Cell temperature: 213 ± 1 K
• Ambient diffraction temperature: 213 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.176
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No