Information card for entry 4020967

Structure parameters

• Formula: C21 H22 N2 O4 S
• Calculated formula: C21 H22 N2 O4 S
• SMILES: S(=O)(=O)(n1c2c(c(C[C@H](NC(=O)OC)CC=C)c1)cccc2)c1ccccc1
• Title of publication: Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions
• Authors of publication: Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3976 - 3978
• a: 9.248 ± 0.002 Å
• b: 20.491 ± 0.003 Å
• c: 21.708 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4113.7 ± 1.4 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No