Information card for entry 1558670

Structure parameters

• Formula: C20 H33 F2 N O4
• Calculated formula: C20 H33 F2 N O4
• Title of publication: Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly
• Authors of publication: Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D.
• Journal of publication: Organic Process Research & Development
• Year of publication: 2020
• a: 8.6196 ± 0.0007 Å
• b: 10.2451 ± 0.0007 Å
• c: 12.2006 ± 0.0008 Å
• α: 106.432 ± 0.004°
• β: 94.759 ± 0.004°
• γ: 90.868 ± 0.004°
• Cell volume: 1029.01 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No