Information card for entry 4021254

Structure parameters

• Formula: C19 H14 O S
• Calculated formula: C19 H14 O S
• SMILES: s1ccc2c1C(=O)[C@H]([C@@H]2c1ccccc1)c1ccccc1.s1ccc2c1C(=O)[C@@H]([C@H]2c1ccccc1)c1ccccc1
• Title of publication: Cobalt-Catalyzed Regioselective Carbocyclization Reaction of o-Iodophenyl Ketones and Aldehydes with Alkynes, Acrylates, and Acrylonitrile: A Facile Route to Indenols and Indenes
• Authors of publication: Kuo-Jui Chang; Dinesh Kumar Rayabarapu; Chien-Hong Cheng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4781 - 4787
• a: 9.8869 ± 0.0016 Å
• b: 10.2778 ± 0.0016 Å
• c: 15.52 ± 0.003 Å
• α: 90°
• β: 105.827 ± 0.003°
• γ: 90°
• Cell volume: 1517.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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