Information card for entry 7101057

Structure parameters

• Formula: C18 H21 N O3 S
• Calculated formula: C18 H21 N O3 S
• SMILES: [C@H]1(CCCN1S(=O)(=O)c1ccc(cc1)C)[C@@H](c1ccccc1)O.[C@@H]1(CCCN1S(=O)(=O)c1ccc(cc1)C)[C@H](c1ccccc1)O
• 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: 9.461 ± 0.0019 Å
• b: 18.63 ± 0.004 Å
• c: 10.033 ± 0.002 Å
• α: 90°
• β: 112.92 ± 0.03°
• γ: 90°
• Cell volume: 1628.8 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No