Information card for entry 4124309

Structure parameters

• Formula: C17 H19 Br N
• Calculated formula: C17 H19 Br N
• SMILES: [NH+]1(CCCC1)[C@@H]1Cc2ccc3ccccc3c2C1.[Br-]
• Title of publication: Asymmetric Pd-Catalyzed Alkene Carboamination Reactions for the Synthesis of 2-Aminoindane Derivatives.
• Authors of publication: White, Derick R.; Hutt, Johnathon T.; Wolfe, John P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 35
• Pages of publication: 11246 - 11249
• a: 21.7101 ± 0.0005 Å
• b: 7.1557 ± 0.0001 Å
• c: 10.9015 ± 0.0008 Å
• α: 90°
• β: 116.571 ± 0.008°
• γ: 90°
• Cell volume: 1514.69 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No