Information card for entry 1573455

Structure parameters

• Formula: C34 H22 Br2 F2 N4 O2
• Calculated formula: C34 H22 Br2 F2 N4 O2
• Title of publication: Reductive Coupling of Azonaphthalenes for the Synthesis of BINAMs via a Diboron-Enabled [5,5]-Sigmatropic Rearrangement
• Authors of publication: Qi, Liangwen; Twumasi, Emmanuella Bema; Li, Xiao-Wei; Li, Rui; Lu, Yixin
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 13.8725 ± 0.0009 Å
• b: 29.1188 ± 0.0018 Å
• c: 9.362 ± 0.0006 Å
• α: 90°
• β: 127.298 ± 0.002°
• γ: 90°
• Cell volume: 3008.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No