Information card for entry 4020499

Structure parameters

• Formula: C23 H23 N O4
• Calculated formula: C23 H23 N O4
• SMILES: O1[C@@]23[C@@H](N(C(=O)[C@]2(C[C@@H]1CC3)C)c1ccc(OC)cc1)c1c(C=O)cccc1
• Title of publication: Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones
• Authors of publication: Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7273 - 7278
• a: 13.18 ± 0.03 Å
• b: 16.3 ± 0.04 Å
• c: 8.618 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852 ± 7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No