Information card for entry 2005590

Structure parameters

• Chemical name: 2(R)-ethoxy-4(S)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-formyl-3,4-dihydro-2H-pyrane.
• Formula: C19 H28 O8
• Calculated formula: C19 H28 O8
• SMILES: O1C(=C[C@@H]([C@H]2O[C@@H]3OC(O[C@@H]3[C@H]3OC(O[C@@H]23)(C)C)(C)C)C[C@@H]1OCC)C=O
• Title of publication: Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives
• Authors of publication: Ianelli, S.; Nardelli, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2853 - 2857
• a: 17.339 ± 0.004 Å
• b: 16.43 ± 0.005 Å
• c: 7.222 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2057.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0409
• Goodness-of-fit parameter for all reflections: 0.638
• Goodness-of-fit parameter for significantly intense reflections: 0.797
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No