Information card for entry 4023369

Structure parameters

• Formula: C29.27 H42.41 N2.14 O5 S
• Calculated formula: C29.272 H42 N2.136 O5 S
• Title of publication: Asymmetric Synthesis of an N-Acylpyrrolidine for Inhibition of HCV Polymerase
• Authors of publication: Armel A. Agbodjan; Bob E. Cooley; Royston C. B. Copley; John A. Corfield; Roy C. Flanagan; Bobby N. Glover; Rossella Guidetti; David Haigh; Peter D. Howes; Mary M. Jackson; Richard T. Matsuoka; Katrina J. Medhurst; Alan Millar; Matthew J. Sharp; Martin J. Slater; Jennifer F. Toczko; Shiping Xie
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3094 - 3102
• a: 14.5527 ± 0.0012 Å
• b: 14.5527 ± 0.0012 Å
• c: 29.858 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6323.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No