Information card for entry 7100384

Structure parameters

• Formula: C19 H38 N4 O S
• Calculated formula: C19 H38 N4 O S
• SMILES: S=C(N[C@H](C(=O)N(CC)CC)C(C)(C)C)N[C@H]1[C@H](N(C)C)CCCC1
• Title of publication: Second-Generation Organocatalysts for the Highly Enantioselective Dynamic Kinetic Resolution of Azlactones
• Authors of publication: Albrecht Berkessel; Felix Cleeman; Johann Lex; Santanu Mukherjee; Thomas N. Muller
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.702 ± 0.001 Å
• b: 13.351 ± 0.001 Å
• c: 14.156 ± 0.001 Å
• α: 90°
• β: 100.81 ± 0.01°
• γ: 90°
• Cell volume: 2172.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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