Information card for entry 4021323

Structure parameters

• Formula: C26 H17 N O5
• Calculated formula: C26 H17 N O5
• SMILES: O1C2([C@H]3[C@@H]([C@H]1c1ccccc1)C(=O)N(C3=O)c1ccccc1)C(=O)c1ccccc1C2=O.O1C2([C@@H]3[C@H]([C@@H]1c1ccccc1)C(=O)N(C3=O)c1ccccc1)C(=O)c1ccccc1C2=O
• Title of publication: A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues
• Authors of publication: Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4856 - 4859
• a: 10.462 ± 0.002 Å
• b: 7.794 ± 0.002 Å
• c: 25.62 ± 0.008 Å
• α: 90°
• β: 94.87 ± 0.02°
• γ: 90°
• Cell volume: 2081.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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