Information card for entry 4108339

Structure parameters

• Common name: N-(2-exo-norbornyl)-p-bromoaniline
• Formula: C13 H16 Br N
• Calculated formula: C13 H16 Br N
• SMILES: c1cc(ccc1N[C@H]1C[C@@H]2CC[C@H]1C2)Br
• Title of publication: Intermolecular, Catalytic Asymmetric Hydroamination of Bicyclic Alkenes and Dienes in High Yield and Enantioselectivity
• Authors of publication: Jianrong (Steve) Zhou; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12220 - 12221
• a: 5.8653 ± 0.0005 Å
• b: 7.5844 ± 0.0007 Å
• c: 26.955 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1199.09 ± 0.17 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No