Information card for entry 4513719

Structure parameters

• Formula: C19 H20 O2 S
• Calculated formula: C19 H20 O2 S
• SMILES: S(C(C(C(=O)C)C(=O)C)c1ccccc1)Cc1ccccc1
• Title of publication: Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.
• Authors of publication: Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.
• Journal of publication: ACS combinatorial science
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 671 - 681
• a: 16.054 ± 0.003 Å
• b: 5.3498 ± 0.0006 Å
• c: 20.105 ± 0.003 Å
• α: 90°
• β: 106.442 ± 0.015°
• γ: 90°
• Cell volume: 1656.1 ± 0.5 ų
• 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
• Residual factor for all reflections: 0.27
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No