Information card for entry 4020450

Structure parameters

• Formula: C32 H35 N3 O5 S
• Calculated formula: C32 H35 N3 O5 S
• SMILES: [C@]12(N(Cc3ccccc3)C(=O)N(Cc3ccccc3)C1=O)CC(=CC2)C(=O)N1S(=O)(=O)C[C@@]23[C@H]1C[C@@H](CC2)C3(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: 11.937 ± 0.002 Å
• b: 7.5972 ± 0.0009 Å
• c: 16.739 ± 0.002 Å
• α: 90°
• β: 110.521 ± 0.005°
• γ: 90°
• Cell volume: 1421.7 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No