Information card for entry 7131267

Structure parameters

• Chemical name: 2R,3S,4S,6S)-4-azido-3-(benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolyl)tetrahydro-2H-pyran
• Formula: C27 H29 N3 O3
• Calculated formula: C27 H29 N3 O3
• Title of publication: Transient imine as a directing group for the Pd-catalyzed anomeric C(sp³)-H arylation of 3-aminosugars.
• Authors of publication: Ghouilem, Juba; Bazzi, Sokna; Grimblat, Nicolas; Retailleau, Pascal; Gandon, Vincent; Messaoudi, Samir
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 17
• Pages of publication: 2497 - 2500
• a: 4.8747 ± 0.0002 Å
• b: 10.5771 ± 0.0004 Å
• c: 44.7202 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2305.78 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No