Information card for entry 4104159

Structure parameters

• Common name: 2-O-Benzyl-1,6:3,4-dianhydro-β-D-altropyranose
• Formula: C13 H14 O4
• Calculated formula: C13 H14 O4
• SMILES: O1[C@@H]2O[C@@H]([C@H]3O[C@H]3[C@@H]2OCc2ccccc2)C1
• Title of publication: Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli
• Authors of publication: Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5187 - 5193
• a: 10.9272 ± 0.0012 Å
• b: 19.943 ± 0.002 Å
• c: 11.0323 ± 0.0011 Å
• α: 90°
• β: 110.217 ± 0.006°
• γ: 90°
• Cell volume: 2256.1 ± 0.4 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No