Information card for entry 7128327

Structure parameters

• Chemical name: (2?-methylphenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside
• Formula: C16 H24 O5
• Calculated formula: C16 H24 O5
• SMILES: O([C@@H]1O[C@H]([C@H](OC)[C@@H](OC)[C@H]1OC)C)c1c(cccc1)C
• Title of publication: Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.
• Authors of publication: Jones, Caleb A. H.; Schley, Nathan D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 48
• Pages of publication: 5953 - 5956
• a: 7.89131 ± 0.00005 Å
• b: 11.97867 ± 0.00007 Å
• c: 16.9967 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1606.65 ± 0.016 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0253
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No