Information card for entry 4020448

Structure parameters

• Formula: C30 H32 N2 O6
• Calculated formula: C30 H32 N2 O6
• SMILES: [C@]12(N(Cc3ccccc3)C(=O)N(Cc3ccccc3)C1=O)CC[C@H]1[C@]2(C(=O)OCC)CC=C1C(=O)OCC.[C@@]12(N(Cc3ccccc3)C(=O)N(Cc3ccccc3)C1=O)CC[C@@H]1[C@@]2(C(=O)OCC)CC=C1C(=O)OCC
• 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: 8.714 ± 0.001 Å
• b: 25.943 ± 0.003 Å
• c: 11.641 ± 0.002 Å
• α: 90°
• β: 90.931 ± 0.002°
• γ: 90°
• Cell volume: 2631.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No