Information card for entry 4020447

Structure parameters

• Formula: C6 H6 N2 O3
• Calculated formula: C6 H6 N2 O3
• SMILES: N1(C(=O)C)C(=O)NC(=O)C1=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: 7.2232 ± 0.0008 Å
• b: 7.5093 ± 0.0009 Å
• c: 7.8888 ± 0.0009 Å
• α: 107.757 ± 0.002°
• β: 103.321 ± 0.002°
• γ: 115.075 ± 0.002°
• Cell volume: 335.49 ± 0.07 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