Information card for entry 7213439

Structure parameters

• Formula: C21 H34 Br N O4
• Calculated formula: C21 H34 Br N O4
• SMILES: BrC1=C[C@H]2O[C@]3(O[C@H]2C[C@@H]1NC(=O)OC(C)(C)C)[C@@H](CC[C@H](C3)C)C(C)C
• Title of publication: Ring-fused gem-dibromocyclopropanes as precursors to enantiomerically pure D- and L-series 3-deoxy- and 2-amino-2,3-dideoxyaldohexose derivatives
• Authors of publication: Banwell, Martin G.; Ebenbeck, Wolfgang; Edwards, Alison J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 114
• a: 10.023 ± 0.002 Å
• b: 11.832 ± 0.002 Å
• c: 10.575 ± 0.002 Å
• α: 90°
• β: 108.29 ± 0.01°
• γ: 90°
• Cell volume: 1190.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 193.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No