Information card for entry 7128329

Structure parameters

• Chemical name: (2?-methylphenyl)-6-O-triisopropylsilyl-2,3,4-tri-O-methyl-α-D-mannopyranoside
• Formula: C25 H44 O6 Si
• Calculated formula: C25 H44 O6 Si
• SMILES: [Si](OC[C@H]1O[C@H](Oc2c(cccc2)C)[C@@H](OC)[C@@H](OC)[C@@H]1OC)(C(C)C)(C(C)C)C(C)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: 7.7564 ± 0.0002 Å
• b: 13.7188 ± 0.0004 Å
• c: 25.4041 ± 0.0008 Å
• α: 90°
• β: 97.463 ± 0.003°
• γ: 90°
• Cell volume: 2680.31 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No