Information card for entry 7125536

Structure parameters

• Formula: C11 H9 N O2
• Calculated formula: C11 H9 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: 6.0008 ± 0.0008 Å
• b: 7.237 ± 0.0011 Å
• c: 10.9282 ± 0.0016 Å
• α: 95.403 ± 0.002°
• β: 101.029 ± 0.003°
• γ: 102.046 ± 0.003°
• Cell volume: 451.1 ± 0.11 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: 0.0758
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No