Information card for entry 2017653

Structure parameters

• Chemical name: <i>N</i>-{(5<i>S</i>)-3-[4-(5,6-dihydro-2<i>H</i>,4<i>H</i>-2- methylpyrrolo[3,4-<i>c</i>]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3- oxazolidin-5-yl}acetamide
• Formula: C18 H20 F N5 O3
• Calculated formula: C18 H20 F N5 O3
• SMILES: Fc1c(N2Cc3nn(cc3C2)C)ccc(N2C[C@@H](OC2=O)CNC(=O)C)c1
• Title of publication: A novel oxazolidinone antibiotic: RWJ-416457
• Authors of publication: Cheung, Eugene Y.; Peterson, Matthew L.; Chiarella, Renato; Foxman, Bruce M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o249 - o251
• a: 4.8358 ± 0.0017 Å
• b: 10.293 ± 0.004 Å
• c: 17.403 ± 0.006 Å
• α: 90°
• β: 97.524 ± 0.01°
• γ: 90°
• Cell volume: 858.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0852
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9625
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes