Information card for entry 4124256

Structure parameters

• Formula: C31 H34 O5
• Calculated formula: C31 H34 O5
• SMILES: O(Cc1ccccc1)[C@H]1[C@H](OCc2ccccc2)[C@H](O[C@@H]2[C@H]1OCC(=C)C2)COCc1ccccc1
• 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: 11.1588 ± 0.0006 Å
• b: 9.3746 ± 0.0006 Å
• c: 12.4312 ± 0.0007 Å
• α: 90°
• β: 97.56 ± 0.003°
• γ: 90°
• Cell volume: 1289.12 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No