Information card for entry 7155969

Structure parameters

• Formula: C30 H44 N2 O10
• Calculated formula: C30 H44 N2 O10
• SMILES: O=C(OC)[C@@H]1[C@@H](OC(=O)C)[C@H]([C@H](NC(=O)OC(C)(C)C)C1)[C@@H](NC(=O)C)[C@H](OCc1ccccc1)[C@@H]1OC(OC1)(C)C
• Title of publication: Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus
• Authors of publication: Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2017
• a: 10.3732 ± 0.0004 Å
• b: 16.8818 ± 0.0004 Å
• c: 35.8766 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6282.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No