Information card for entry 4023645

Structure parameters

• Chemical name: 6-heptyl-5-methyl-3-methylenehexahydro-4H-furo[2,3-b]pyran-4,5-diol
• Formula: C16 H28 O4
• Calculated formula: C16 H28 O4
• Title of publication: The Naturally Occurring Ketene Acetal Benesudon: Total Synthesis and Assignment of Relative and Absolute Stereochemistry
• Authors of publication: Derrick L. J. Clive; Minaruzzaman; Haikang Yang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6743 - 6752
• a: 5.5158 ± 0.0007 Å
• b: 6.7186 ± 0.0008 Å
• c: 21.89 ± 0.003 Å
• α: 90°
• β: 92.815 ± 0.003°
• γ: 90°
• Cell volume: 810.23 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No