Information card for entry 7154973

Structure parameters

• Formula: C27 H30 Br2 N2 O5 Pd S
• Calculated formula: C27 H30 Br2 N2 O5 Pd S
• Title of publication: 2,3-Di-O-picolinyl building blocks as glycosyl donors with switchable stereoselectivity.
• Authors of publication: Yasomanee, Jagodige P.; Parameswar, Archana R.; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3159 - 3169
• a: 8.3369 ± 0.0004 Å
• b: 20.8048 ± 0.001 Å
• c: 8.5721 ± 0.0004 Å
• α: 90°
• β: 112.222 ± 0.003°
• γ: 90°
• Cell volume: 1376.38 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No