Information card for entry 4037477

Structure parameters

• Formula: C38 H24 Br2 N2
• Calculated formula: C38 H24 Br2 N2
• Title of publication: Coupling Radical Homoallylic Expansions with C-C Fragmentations for the Synthesis of Heteroaromatics: Quinolines from Reactions of o-Alkenylarylisonitriles with Aryl, Alkyl, and Perfluoroalkyl Radicals.
• Authors of publication: Evoniuk, Christopher J.; Gomes, Gabriel Dos Passos; Ly, Michelle; White, Frankie D.; Alabugin, Igor V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 4265 - 4278
• a: 4.0508 ± 0.0005 Å
• b: 12.2873 ± 0.0015 Å
• c: 15.1864 ± 0.0019 Å
• α: 103.756 ± 0.002°
• β: 94.792 ± 0.002°
• γ: 109.637 ± 0.002°
• Cell volume: 680.37 ± 0.15 ų
• Cell temperature: 137 ± 2 K
• Ambient diffraction temperature: 137 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No