Information card for entry 4020700

Structure parameters

• Formula: C22.5 H25 Cl N2 O3
• Calculated formula: C22.5 H25 Cl N2 O3
• Title of publication: Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening
• Authors of publication: Birte Basler; Oliver Schuster; Thorsten Bach
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9798 - 9808
• a: 32.3497 ± 0.0006 Å
• b: 9.9117 ± 0.0001 Å
• c: 12.2514 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3928.3 ± 0.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No