Information card for entry 1506568

Structure parameters

• Formula: C6 H11 F2 N O2
• Calculated formula: C6 H11 F2 N O2
• SMILES: FC1(F)[C@H](O)[C@@H](O)CN[C@@H]1C
• Title of publication: Highly stereocontrolled synthesis of gem-difluoromethylenated azasugars: D- and L-1,4,6-trideoxy-4,4-difluoronojirimycin.
• Authors of publication: Wang, Ruo-Wen; Qing, Feng-Ling
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 2189 - 2192
• a: 9.6285 ± 0.0009 Å
• b: 10.2351 ± 0.0009 Å
• c: 15.0732 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1485.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.0994
• 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: No
• Has Fobs: No