Information card for entry 7113983

Structure parameters

• Formula: C19 H22 O7
• Calculated formula: C19 H22 O7
• SMILES: C1(=O)[C@H]2[C@@H](C([C@@H]3[C@H]1OC(C)(C)O3)OC(=O)c1ccccc1)OC(C)(C)O2.C1(=O)[C@@H]2[C@H](C([C@H]3[C@@H]1OC(C)(C)O3)OC(=O)c1ccccc1)OC(C)(C)O2
• Title of publication: Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization
• Authors of publication: Raja Mohanrao; Aromal Asokan; Kana M. Sureshan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6707
• a: 17.615 ± 0.005 Å
• b: 10.145 ± 0.005 Å
• c: 20.328 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3633 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No