Information card for entry 2011803

Structure parameters

• Chemical name: 1,6-anhydro-4-O-benzyl-β-D-mannopyranose
• Formula: C13 H16 O5
• Calculated formula: C13 H16 O5
• SMILES: O1[C@@H]2O[C@@H]([C@@H](OCc3ccccc3)[C@H](O)[C@@H]2O)C1
• Title of publication: Three 1,6-anhydro-β-<small>D</small>-glycopyranose derivatives
• Authors of publication: Foces-Foces, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 298 - 301
• a: 11.9752 ± 0.0005 Å
• b: 5.7487 ± 0.0002 Å
• c: 18.0759 ± 0.0014 Å
• α: 90°
• β: 100.295 ± 0.006°
• γ: 90°
• Cell volume: 1224.34 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes