Information card for entry 4020795

Structure parameters

• Formula: C22 H26 N2 O3 S
• Calculated formula: C22 H26 N2 O3 S
• SMILES: C1(=O)N(C(=O)CCSc2ccccc2)N([C@H]([C@@H](c2ccccc2)O1)C)C(C)C
• Title of publication: Intramolecular Chiral Relay at Stereogenic Nitrogen. Synthesis and Application of a New Chiral Auxiliary Derived from (1R,2S)-Norephedrine and Acetone
• Authors of publication: Shawn R. Hitchcock; David M. Casper; Jeremy F. Vaughn; Jennifer M. Finefield; Gregory M. Ferrence; Joel M. Esken
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 714 - 718
• a: 9.6661 ± 0.0006 Å
• b: 9.9694 ± 0.0006 Å
• c: 21.165 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2039.6 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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