Information card for entry 4021322

Structure parameters

• Formula: C26 H17 Cl2 N O4
• Calculated formula: C26 H17 Cl2 N O4
• SMILES: Clc1cc(N2C(=O)C(CC2=O)C2(C(=O)c3ccccc3C2=O)c2ccc(cc2)C)ccc1Cl
• 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: 14.98 ± 0.002 Å
• b: 12.115 ± 0.002 Å
• c: 24.997 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4536.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No