Information card for entry 1505906

Structure parameters

• Formula: C22 H19 Br N2 O2 S
• Calculated formula: C22 H19 Br N2 O2 S
• SMILES: Brc1ccc([C@H](NS(=O)(=O)c2ccc(cc2)C)c2c[nH]c3c2cccc3)cc1
• Title of publication: Asymmetric Friedel-Crafts addition of indoles to N-sulfonyl aldimines: a simple approach to optically active 3-indolyl-methanamine derivatives.
• Authors of publication: Jia, Yi-Xia; Xie, Jian-Hua; Duan, Hai-Feng; Wang, Li-Xin; Zhou, Qi-Lin
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 1621 - 1624
• a: 18.443 ± 0.008 Å
• b: 8.521 ± 0.003 Å
• c: 27.694 ± 0.012 Å
• α: 90°
• β: 105.917 ± 0.007°
• γ: 90°
• Cell volume: 4185 ± 3 ų
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.163
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No