Information card for entry 4021321

Structure parameters

• Formula: C26 H15 Cl2 N O5
• Calculated formula: C26 H15 Cl2 N O5
• SMILES: Clc1cc(N2C(=O)[C@@H]3[C@@H](C4(O[C@@H]3c3ccccc3)C(=O)c3ccccc3C4=O)C2=O)ccc1Cl.Clc1cc(N2C(=O)[C@H]3[C@H](C4(O[C@H]3c3ccccc3)C(=O)c3ccccc3C4=O)C2=O)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: 7.248 ± 0.001 Å
• b: 9.71 ± 0.002 Å
• c: 16.204 ± 0.003 Å
• α: 84.03 ± 0.02°
• β: 79.12 ± 0.02°
• γ: 81.2 ± 0.01°
• Cell volume: 1103.4 ± 0.3 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 5
• 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