Information card for entry 4020799

Structure parameters

• Formula: C15 H16 O7 S
• Calculated formula: C15 H16 O7 S
• SMILES: S(=O)(=O)(Oc1c(OC)cc(cc1)[C@H]1OC(=O)[C@]2([C@@H]1C2)C(=O)C)C
• Title of publication: A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans
• Authors of publication: Nigel A. Swain; Richard C. D. Brown; Gordon Bruton
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 122 - 129
• a: 6.9869 ± 0.0001 Å
• b: 10.6937 ± 0.0002 Å
• c: 20.5161 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1532.88 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No