Information card for entry 4020497

Structure parameters

• Formula: C38 H44 N2 O3
• Calculated formula: C38 H44 N2 O3
• SMILES: O1[C@H](N(Cc2ccccc2)C([C@H]2[C@H]1C[C@H](C)CC2)(C)C)c1c([C@@H]2N(c3ccccc3)C(=O)[C@@H]3[C@]42O[C@H](C3)CC4)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: 11.0669 ± 0.0017 Å
• b: 13.257 ± 0.002 Å
• c: 22.029 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3232.1 ± 0.9 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