Information card for entry 7100130

Structure parameters

• Formula: C21 H19 N O3 S
• Calculated formula: C21 H19 N O3 S
• SMILES: O=C(c1ccccc1)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C
• Title of publication: First Direct Osmium-Catalysed Ketamination of Alkenes
• Authors of publication: Villar, Amparo; Hovelmann, Claas H.; Nieger, Martin; Muniz, Kilian
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 12.6115 ± 0.0001 Å
• b: 5.9741 ± 0.0001 Å
• c: 24.2313 ± 0.0002 Å
• α: 90°
• β: 101.681 ± 0.001°
• γ: 90°
• Cell volume: 1787.83 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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