Information card for entry 4023325

Structure parameters

• Formula: C8 H16 Br N O2
• Calculated formula: C8 H16 Br N O2
• SMILES: Br[C@@H]1[C@H]2CN([C@@H]1[C@H](CC2)O)C.O.Br[C@H]1[C@@H]2CN([C@H]1[C@@H](CC2)O)C.O
• Title of publication: Neighboring Group Participation in the Additions of Iodonium and Bromonium Ions to N-Alkoxycarbonyl-2-azabicyclo[2.2.n]alk-5-enes (n = 1,2)
• Authors of publication: Grant R. Krow; Deepa Gandla; Weiwei Guo; Ryan A. Centafont; Guoliang Lin; Charles DeBrosse; Philip E. Sonnet; Ross, III, Charles W.; Harri G. Ramjit; Patrick J. Carroll; Kevin C. Cannon
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 2114 - 2121
• a: 11.3026 ± 0.0007 Å
• b: 8.0682 ± 0.0004 Å
• c: 21.4599 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1957 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No