Information card for entry 7125316

Structure parameters

• Formula: C32 H46 B2 Cl2 N2
• Calculated formula: C32 H46 B2 Cl2 N2
• Title of publication: Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.
• Authors of publication: Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 89
• Pages of publication: 12132 - 12135
• a: 9.198 ± 0.002 Å
• b: 10.869 ± 0.002 Å
• c: 16.114 ± 0.004 Å
• α: 97.766 ± 0.014°
• β: 102.763 ± 0.008°
• γ: 100.085 ± 0.008°
• Cell volume: 1521.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No