Information card for entry 4025875

Structure parameters

• Common name: Nitro galactose
• Formula: C34 H37 N O9
• Calculated formula: C34 H37 N O9
• SMILES: O(CC#C)[C@H]1O[C@@H]([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@]1(N(=O)=O)CCC(=O)OC)COCc1ccccc1
• Title of publication: Chemistry of 2-Nitroglycals: A One-Pot Three-Component Stereoselective Approach toward 2-C-Branched O-Galactosides
• Authors of publication: Pavan K. Kancharla; Yashwant D. Vankar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 8457 - 8464
• a: 13.157 ± 0.004 Å
• b: 9.516 ± 0.003 Å
• c: 13.529 ± 0.004 Å
• α: 90°
• β: 111.001 ± 0.005°
• γ: 90°
• Cell volume: 1581.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No