Information card for entry 4083703

Structure parameters

• Formula: C26 H44 B P
• Calculated formula: C26 H44 B P
• Title of publication: Insights into the Formation of Borabenzene Adducts via Ligand Exchange Reactions and TMSCl Elimination from Boracyclohexadiene Precursors
• Authors of publication: Légaré, Marc-André; Bélanger-Chabot, Guillaume; De Robillard, Guillaume; Languérand, André; Maron, Laurent; Fontaine, Frédéric-Georges
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140618164232002
• a: 9.792 ± 0.003 Å
• b: 12.655 ± 0.004 Å
• c: 20.222 ± 0.008 Å
• α: 90°
• β: 100.94 ± 0.004°
• γ: 90°
• Cell volume: 2460.3 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No