Information card for entry 4124255

Structure parameters

• Chemical name: (2R,4aR,9aS,10R,10aR)-10-(benzyloxy)-7-methylene-2- phenyloctahydro-4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine
• Formula: C24 H26 O5
• Calculated formula: C24 H26 O5
• SMILES: O1[C@H]2[C@H](OCC(=C)C2)[C@@H](OCc2ccccc2)[C@@H]2O[C@@H](OC[C@@H]12)c1ccccc1
• Title of publication: Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.
• Authors of publication: Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10336 - 10345
• a: 11.374 ± 0.0006 Å
• b: 12.3617 ± 0.0006 Å
• c: 15.9539 ± 0.0011 Å
• α: 104.163 ± 0.007°
• β: 100.372 ± 0.007°
• γ: 103.601 ± 0.008°
• Cell volume: 2045.7 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No