Information card for entry 7101056

Structure parameters

• Formula: C17 H19 N O3 S
• Calculated formula: C17 H19 N O3 S
• SMILES: [C@H]1([C@H](CCN1S(=O)(=O)c1ccc(cc1)C)O)c1ccccc1.[C@@H]1([C@@H](CCN1S(=O)(=O)c1ccc(cc1)C)O)c1ccccc1
• Title of publication: Hemi-aminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines
• Authors of publication: Varinder Aggarwal; Christoforos G. Kokotos
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 10.411 ± 0.002 Å
• b: 7.7097 ± 0.0015 Å
• c: 19.546 ± 0.004 Å
• α: 90°
• β: 94.63 ± 0.03°
• γ: 90°
• Cell volume: 1563.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No