Information card for entry 4107295

Structure parameters

• Formula: C12 H14 Br2 N2
• Calculated formula: C12 H14 Br2 N2
• Title of publication: α-Amination of Nitrogen Heterocycles: Ring-Fused Aminals
• Authors of publication: Chen Zhang; Chandra Kanta De; Rudrajit Mal; Daniel Seidel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 416 - 417
• a: 18.333 ± 0.002 Å
• b: 7.6856 ± 0.001 Å
• c: 18.386 ± 0.002 Å
• α: 90°
• β: 108.073 ± 0.002°
• γ: 90°
• Cell volume: 2462.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No