Information card for entry 4117015

Structure parameters

• Formula: C11 H20 O3
• Calculated formula: C11 H20 O3
• Title of publication: The Ratio between Endocyclic and Exocyclic Cleavage of Pyranoside Acetals Is Dependent upon the Anomer, the Temperature, the Aglycon Group, and the Solvent
• Authors of publication: Jennifer L. Liras; Vincent M. Lynch; Eric V. Anslyn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 8191 - 8200
• a: 5.103 ± 0.002 Å
• b: 10.991 ± 0.004 Å
• c: 19.103 ± 0.006 Å
• α: 90°
• β: 90.77°
• γ: 90°
• Cell volume: 1071.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.0892
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No