Information card for entry 4020449

Structure parameters

• Formula: C14 H18 N2 O8
• Calculated formula: C14 H18 N2 O8
• SMILES: [C@@]12(NC(=O)NC1=O)C[C@H](COC(=O)C)[C@H](OC(=O)C)[C@@H]2OC(=O)C.[C@]12(NC(=O)NC1=O)C[C@@H](COC(=O)C)[C@@H](OC(=O)C)[C@H]2OC(=O)C
• Title of publication: Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins
• Authors of publication: Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Journal issue: 16
• Pages of publication: 6369 - 6377
• a: 7.972 ± 0.001 Å
• b: 8.15 ± 0.001 Å
• c: 12.401 ± 0.002 Å
• α: 85.164 ± 0.004°
• β: 88.471 ± 0.004°
• γ: 71.878 ± 0.004°
• Cell volume: 763.02 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No