Information card for entry 4020573

Structure parameters

• Formula: C10 H13 N O3 S
• Calculated formula: C10 H13 N O3 S
• SMILES: S(=O)(=NC(=O)OCc1ccccc1)(C)C
• Title of publication: Investigating the Reaction of N-Carbobenzoxy-O-carbobenzoxy- hydroxylamine with Dimethyl Sulfoxide: Formation of S,S-Dimethyl-N-[(phenylmethoxy)- carbonyl]sulfoximine.
• Authors of publication: Ron W. Darbeau; Noe T. Alvarez; Gregory A. Trahan; Frank R. Fronczek
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9599 - 9602
• a: 9.932 ± 0.002 Å
• b: 12.608 ± 0.004 Å
• c: 8.663 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1084.8 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No