Information card for entry 4103441

Structure parameters

• Formula: C25 H0.25 O7.5
• Calculated formula: C21 H26 O8
• SMILES: O1C(=O)C[C@]2([C@@H]1[C@H]([C@H]1[C@H](O2)CO[C@H](O1)c1ccccc1)OC(=O)C(C)(C)C)OC
• Title of publication: Rh(II) Carbene-Promoted Activation of the Anomeric C-H Bond of Carbohydrates: A Stereospecific Entry toward α- and β-Ketopyranosides
• Authors of publication: Mélissa Boultadakis-Arapinis; Pascale Lemoine; Serge Turcaud; Laurent Micouin; Thomas Lecourt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15477 - 15479
• a: 6.121 ± 0.002 Å
• b: 14.951 ± 0.005 Å
• c: 23.343 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2136.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1628
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No