Information card for entry 4025154

Structure parameters

• Formula: C16 H17 Br N2 O6 S2
• Calculated formula: C16 H17 Br N2 O6 S2
• Title of publication: Asymmetric Synthesis of the Potent HIV-Protease Inhibitor, Nelfinavir
• Authors of publication: Sadagopan Raghavan; V. Krishnaiah; B. Sridhar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 498 - 501
• a: 10.736 ± 0.0007 Å
• b: 10.736 ± 0.0007 Å
• c: 34.045 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3924.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No