Information card for entry 2013255

Structure parameters

• Common name: methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside
• Chemical name: methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside
• Formula: C17 H30 O8
• Calculated formula: C17 H30 O8
• SMILES: O([C@H]1O[C@@H]([C@@H](O)[C@H](OC(=O)C(C)(C)C)[C@@H]1O)COC(=O)C(C)(C)C)C
• Title of publication: Methyl 3,6-di-<i>O</i>-pivaloyl-α-<small>D</small>-mannopyranoside
• Authors of publication: Matijašić, Ivanka; Pavlović, Gordana; Trojko Jr., Rudolf
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o184 - o186
• a: 6.8711 ± 0.0011 Å
• b: 15.231 ± 0.002 Å
• c: 19.263 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2015.9 ± 0.5 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: 0.1087
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes