Information card for entry 4028872

Structure parameters

• Formula: C17 H20 Br N O8
• Calculated formula: C17 H20 Br N O8
• SMILES: Br[C@@]1(N(=O)=O)[C@@H](O)c2c(O[C@H]1[C@H]1O[C@@H]3OC(O[C@@H]3[C@H]1OC)(C)C)cccc2
• Title of publication: Synthesis of Enantiopure 2-C-Glycosyl-3-nitrochromenes
• Authors of publication: Raquel G. Soengas; Humberto Rodríguez-Solla; Artur M. S. Silva; Ricardo Llavona; Filipe A. Almeida Paz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 12831 - 12836
• a: 9.809 ± 0.001 Å
• b: 10.7205 ± 0.0009 Å
• c: 17.2919 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1818.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No