Information card for entry 4020486

Structure parameters

• Formula: C27 H26 N2 O5 S
• Calculated formula: C27 H26 N2 O5 S
• SMILES: [C@H]1([C@@H](CCN1S(=O)(=O)c1ccc(cc1)C)C(=O)N1[C@H](COC1=O)c1ccccc1)c1ccccc1
• Title of publication: Asymmetric Halo-Mannich-Type Reaction Provides Access to Pyrrolidines and -Proline Derivatives
• Authors of publication: Cody Timmons; Li Guo; Junying Liu; John F. Cannon; Guigen Li
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7634 - 7639
• a: 12.8987 ± 0.0009 Å
• b: 15.5092 ± 0.001 Å
• c: 13.2871 ± 0.0009 Å
• α: 90°
• β: 115.029 ± 0.003°
• γ: 90°
• Cell volume: 2408.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No