Information card for entry 7125317

Structure parameters

• Formula: C30 H42 B2 Cl2 N2
• Calculated formula: C30 H42 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: 12.362 ± 0.003 Å
• b: 12.362 ± 0.003 Å
• c: 38.073 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5818 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No