Information card for entry 4020335

Structure parameters

• Formula: C19 H14 Cl O P S Se
• Calculated formula: C19 H14 Cl O P S Se
• SMILES: [Se]=P(SC(=O)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
• Authors of publication: Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5611 - 5617
• a: 8.347 ± 0.003 Å
• b: 11.71 ± 0.002 Å
• c: 19.072 ± 0.002 Å
• α: 90°
• β: 97.94 ± 0.02°
• γ: 90°
• Cell volume: 1846.2 ± 0.7 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 7
• 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