Information card for entry 4021201

Structure parameters

• Formula: C27 H15 Cl F8 O4 S
• Calculated formula: C27 H15 Cl F8 O4 S
• SMILES: ClC(F)(F)C(F)(F)C(F)(F)C(S(=O)(=O)C1=C(c2ccccc2)O[C@@H]([C@H]1c1ccccc1)C(=O)c1ccccc1)(F)F.ClC(F)(F)C(F)(F)C(F)(F)C(S(=O)(=O)C1=C(c2ccccc2)O[C@H]([C@@H]1c1ccccc1)C(=O)c1ccccc1)(F)F
• Title of publication: Unexpected Formation of Tetrasubstituted 2,3-Dihydrofurans from the Reactions of β-Keto Polyfluoroalkanesulfones with Aldehydes
• Authors of publication: Chunhui Xing; Shizheng Zhu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6486 - 6488
• a: 12.689 ± 0.003 Å
• b: 11.775 ± 0.002 Å
• c: 19.05 ± 0.004 Å
• α: 90°
• β: 104.04 ± 0.03°
• γ: 90°
• Cell volume: 2761.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No