Information card for entry 4021077

Structure parameters

• Formula: C14 H18 O2 S2
• Calculated formula: C14 H18 O2 S2
• SMILES: S(c1ccc(cc1)C)C1(S(=O)C)C(=O)CCCC1
• Title of publication: Phase Transfer Catalysis (PTC) Sulfanylation of Some 2-Methylsulfinyl-Cyclanones
• Authors of publication: Blanka Wladislaw; Mauro Alves Bueno; Liliana Marzorati; Claudio Di Vitta; Júlio Zukerman-Schpector
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 9296 - 9298
• a: 7.1989 ± 0.0009 Å
• b: 19.486 ± 0.002 Å
• c: 10.169 ± 0.001 Å
• α: 90°
• β: 91.574 ± 0.009°
• γ: 90°
• Cell volume: 1426 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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