Information card for entry 7118007

Structure parameters

• Formula: C46 H47 B2 P2
• Calculated formula: C46 H47 B2 P2
• Title of publication: Synthesis of cyclic diborenes with unprecedented cis-configuration
• Authors of publication: Philipp Bissinger; Holger Braunschweig; Mehmet Ali Celik; Christina Claes; Rian D. Dewhurst; Sebastian Endres; Hauke Kelch; Thomas Kramer; Ivo Krummenacher; Christoph Schneider
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15917
• a: 14.4599 ± 0.0013 Å
• b: 16.0807 ± 0.0015 Å
• c: 16.867 ± 0.0016 Å
• α: 79.939 ± 0.003°
• β: 86.355 ± 0.003°
• γ: 78.644 ± 0.003°
• Cell volume: 3784.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0536
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No