Information card for entry 7111212

Structure parameters

• Chemical name: methyl 2,3(R):4,6(R)-di-O-[2,2-(1,4-butoxy)]phenylidene-α-D-mannopyranoside
• Formula: C25 H28 O8
• Calculated formula: C25 H28 O8
• Title of publication: The formation of a cyclic diacetal of methyl α-D-mannopyranoside with a 16-membered macrocyclic loop
• Authors of publication: Maslinska-Solich, Jolanta; Kuznik, Nikodem; Kubicki, Maciej; Kukowka, Sylwia
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 984
• a: 11.955 ± 0.002 Å
• b: 16.56 ± 0.003 Å
• c: 12.578 ± 0.003 Å
• α: 90°
• β: 113.83 ± 0.03°
• γ: 90°
• Cell volume: 2277.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No