Information card for entry 4020972

Structure parameters

• Formula: C12 H10 O S
• Calculated formula: C12 H10 O S
• SMILES: S1C(C(=O)C=C1C)=Cc1ccccc1
• 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: 20.78 ± 0.01 Å
• b: 11.496 ± 0.004 Å
• c: 8.242 ± 0.002 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 1968 ± 1 ų
• Cell temperature: 198.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No