Information card for entry 4020971

Structure parameters

• Formula: C14 H14 O S2
• Calculated formula: C14 H14 O S2
• SMILES: S1C(=CC(=O)C(=C\c2ccccc2)\SCC1)C
• Title of publication: Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group
• Authors of publication: Yuichi Sawada; Akira Oku
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2899 - 2901
• a: 13.829 ± 0.004 Å
• b: 19.788 ± 0.008 Å
• c: 9.501 ± 0.003 Å
• α: 90°
• β: 101.06 ± 0.02°
• γ: 90°
• Cell volume: 2551.8 ± 0.2 ų
• Cell temperature: 198.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No