Information card for entry 7125535

Structure parameters

• Formula: C10 H7 N O2
• Calculated formula: C10 H7 N O2
• Title of publication: Pseudoxazolones, a new class of inhibitors for cysteine proteinases: inhibition of hepatitis A virus and human rhinovirus 3C proteinases
• Authors of publication: Ramtohul, Yeeman K.; Martin, Nathaniel I.; Silkin, Lara; James, Michael N. G.; Vederas, John C.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2740
• a: 5.539 ± 0.0006 Å
• b: 7.2645 ± 0.0008 Å
• c: 10.4291 ± 0.0011 Å
• α: 83.673 ± 0.002°
• β: 83.789 ± 0.002°
• γ: 80.624 ± 0.002°
• Cell volume: 409.77 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No