Information card for entry 4020453

Structure parameters

• Formula: C27 H32 N2 O6
• Calculated formula: C27 H32 N2 O6
• SMILES: [C@]12(N(Cc3ccccc3)C(=O)N(Cc3ccccc3)[C@@H]1O)C[C@@H](C(=O)OCC)[C@H]1OC(O[C@@H]21)(C)C.[C@@]12(N(Cc3ccccc3)C(=O)N(Cc3ccccc3)[C@H]1O)C[C@H](C(=O)OCC)[C@@H]1OC(O[C@H]21)(C)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: 10.421 ± 0.003 Å
• b: 22.846 ± 0.005 Å
• c: 11.407 ± 0.003 Å
• α: 90°
• β: 114.904 ± 0.004°
• γ: 90°
• Cell volume: 2463.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No