Information card for entry 4515177

Structure parameters

• Formula: C53 H62 N2 O9 Si
• Calculated formula: C53 H62 N2 O9 Si
• SMILES: [Si](O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]3OC(O[C@@H]23)(C)C)[C@H](O)[C@@H](NC(=O)c2ccccc2)C[C@H]1NC(=O)c1ccccc1)(C)(C(C)(C)C)C
• Title of publication: Modification at the 2'-Position of the 4,5-Series of 2-Deoxystreptamine Aminoglycoside Antibiotics To Resist Aminoglycoside Modifying Enzymes and Increase Ribosomal Target Selectivity.
• Authors of publication: Sati, Girish C.; Sarpe, Vikram A.; Furukawa, Takayuki; Mondal, Sujit; Mantovani, Matilde; Hobbie, Sven N.; Vasella, Andrea; Böttger, Erik C; Crich, David
• Journal of publication: ACS infectious diseases
• Year of publication: 2019
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 1718 - 1730
• a: 14.868 ± 0.002 Å
• b: 10.1272 ± 0.0015 Å
• c: 31.874 ± 0.004 Å
• α: 90°
• β: 90.165 ± 0.005°
• γ: 90°
• Cell volume: 4799.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No