Information card for entry 7156212

Structure parameters

• Formula: C34 H27 N O12
• Calculated formula: C34 H27 N O12
• Title of publication: Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.
• Authors of publication: Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3596 - 3604
• a: 14.9257 ± 0.0016 Å
• b: 5.4551 ± 0.0006 Å
• c: 21.093 ± 0.002 Å
• α: 90°
• β: 95.99 ± 0.007°
• γ: 90°
• Cell volume: 1708 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1668
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No