Information card for entry 4020605

Structure parameters

• Formula: C17 H16 N2 O4
• Calculated formula: C17 H16 N2 O4
• SMILES: C(=C/c1ccc(cc1)OC)(/C(=O)NCc1ccccc1)N(=O)=O
• Title of publication: Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions
• Authors of publication: Liwen He; G. S. C. Srikanth; Steven L. Castle
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8140 - 8147
• a: 4.7423 ± 0.0008 Å
• b: 15.197 ± 0.003 Å
• c: 21.35 ± 0.004 Å
• α: 90°
• β: 94.01 ± 0.006°
• γ: 90°
• Cell volume: 1534.9 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No