Information card for entry 7204281

Structure parameters

• Common name: N-Z-hPhe-[CN4]-Gly-OBn
• Formula: C27 H27 N5 O4
• Calculated formula: C27 H27 N5 O4
• Title of publication: α-Methylene tetrazole-based peptidomimetics: synthesis and inhibition of HIV protease
• Authors of publication: Barnaby C. H. May; Andrew D. Abell
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 172 - 178
• a: 5.0379 ± 0.0003 Å
• b: 10.1066 ± 0.0007 Å
• c: 12.7865 ± 0.0009 Å
• α: 83.577 ± 0.002°
• β: 81.897 ± 0.002°
• γ: 76.475 ± 0.002°
• Cell volume: 624.55 ± 0.07 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.0898
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No