Information card for entry 4020811

Structure parameters

• Formula: C13 H23 N O5
• Calculated formula: C13 H23 N O5
• SMILES: [C@@H]1([C@@H]([C@H](C(=O)O1)NC(=O)OC(C)(C)C)C)C(C)(C)O.[C@H]1([C@H]([C@@H](C(=O)O1)NC(=O)OC(C)(C)C)C)C(C)(C)O
• Title of publication: Synthesis of γ,δ-Unsaturated and γ,ε-Unsaturated α-Amino Acids from Fragmentation of γ- and δ-Lactones
• Authors of publication: James E. Tarver, Jr.; Madeleine M. Joullié
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 815 - 820
• a: 6.3899 ± 0.0016 Å
• b: 9.466 ± 0.002 Å
• c: 13.63 ± 0.004 Å
• α: 100.278 ± 0.003°
• β: 102.391 ± 0.004°
• γ: 99.08 ± 0.004°
• Cell volume: 775.6 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No