Information card for entry 4020547

Structure parameters

• Formula: C13 H15 N O4
• Calculated formula: C13 H15 N O4
• SMILES: c1(ccccc1)COC(=O)N[C@H]1CC[C@H]1C(=O)O
• Title of publication: (+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study
• Authors of publication: Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7963 - 7971
• a: 7.339 ± 0.002 Å
• b: 8.269 ± 0.003 Å
• c: 21.022 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1275.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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