Information card for entry 2205368

Structure parameters

• Chemical name: 6-O-Cyanomethyl-1,2:3,4-di-O-isopropylidene-α-D-galactopyranose
• Formula: C14 H21 N O6
• Calculated formula: C14 H21 N O6
• SMILES: O1[C@H]2O[C@@H]([C@@H]3OC(O[C@@H]3[C@H]2OC1(C)C)(C)C)COCC#N
• Title of publication: 6-<i>O</i>-Cyanomethyl-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-galactopyranose
• Authors of publication: Vratislav Langer; Bohumil Steiner; Ju̇lia Mic̆ová; Miroslav Koós̆
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o779 - o781
• a: 5.4596 ± 0.0001 Å
• b: 15.9758 ± 0.0003 Å
• c: 17.5111 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1527.34 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes