Information card for entry 4021049

Structure parameters

• Formula: C36 H64 N6 O11
• Calculated formula: C36 H64 N6 O11
• SMILES: O1[C@@H]([C@@H]2N(C1(C)C)C(=O)[C@@H](NC(=O)[C@H]1N(C(O[C@@H]1C)(C)C)C(=O)[C@@H](NC(=O)[C@H]1N(C(O[C@@H]1C)(C)C)C(=O)[C@@H](NC2=O)C(C)C)C(C)C)C(C)C)C.O.O
• Title of publication: Pseudoprolines as Removable Turn Inducers: Tools for the Cyclization of Small Peptides
• Authors of publication: Danielle Skropeta; Katrina A. Jolliffe; Peter Turner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8804 - 8809
• a: 13.964 ± 0.003 Å
• b: 14.014 ± 0.003 Å
• c: 21.067 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4122.6 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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