Information card for entry 1572800

Structure parameters

• Formula: C26 H46 B31 O P
• Calculated formula: C26 H46 B31 O P
• Title of publication: Structure-Constraint Induced Increase in Lewis Acidity of Tris(ortho-carboranyl)borane and Selective Complexation with Bestmann Ylides
• Authors of publication: Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 13.9904 ± 0.0002 Å
• b: 17.1121 ± 0.0002 Å
• c: 19.3321 ± 0.0002 Å
• α: 90°
• β: 109.802 ± 0.001°
• γ: 90°
• Cell volume: 4354.53 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No