Information card for entry 4505637

Structure parameters

• Common name: 3-O-Acetyl-4,6-benzylidene-1,5-N-(carbobenzyloxy) imino-2-tosylamino-1,2,5-trideoxy-D-glucitol
• Formula: C30 H32 N2 O8 S
• Calculated formula: C30 H32 N2 O8 S
• Title of publication: Inhibitors for Bacterial Cell-Wall Recycling.
• Authors of publication: Yamaguchi, Takao; Blázquez, Blas; Hesek, Dusan; Lee, Mijoon; Llarrull, Leticia I.; Boggess, Bill; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar
• Journal of publication: ACS medicinal chemistry letters
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 238 - 242
• a: 7.3789 ± 0.0002 Å
• b: 12.7852 ± 0.0003 Å
• c: 32.0596 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3024.53 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No