Information card for entry 4021137

Structure parameters

• Formula: C19 H16 N2 O5 S
• Calculated formula: C19 H16 N2 O5 S
• SMILES: S(=O)(=O)(N1[C@@H](OCC#C)[C@@]2(NC(=O)OC2)c2ccccc12)c1ccccc1.S(=O)(=O)(N1[C@H](OCC#C)[C@]2(NC(=O)OC2)c2ccccc12)c1ccccc1
• Title of publication: Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates
• Authors of publication: Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6377 - 6386
• a: 9.4627 ± 0.0009 Å
• b: 13.6632 ± 0.0013 Å
• c: 14.2294 ± 0.0013 Å
• α: 90°
• β: 100.514 ± 0.002°
• γ: 90°
• Cell volume: 1808.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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