Information card for entry 4020224

Structure parameters

• Formula: C33 H20 N O S3
• Calculated formula: C14.5 H14.5 N0.5 O S1.5
• SMILES: S(=O)(c1ccccc1[C@H](SC)[C@H](NS(=O)c1ccc(cc1)C)c1ccccc1)c1ccc(cc1)C
• Authors of publication: Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; Mercedes Santos; M. Ascensión Sanz-Tejedor; José. L. García Ruano
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3914 - 3920
• a: 8.266 ± 0.003 Å
• b: 11.948 ± 0.004 Å
• c: 27.816 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2747.3 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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